Mrv0541 02241205452D          

 20 19  0  0  0  0            999 V2000
    7.9480    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8059    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5204    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2349    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9493    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6638    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3783    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0927    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8072    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8072    4.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5217    5.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5217    6.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2362    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9506    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9506    6.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6651    5.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3796    5.4138    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D3624

> <DATABASE_NAME>
t3db

> <SMILES>
CCCCCCCCCCCC(=O)N(C)CC(=O)O[Na]

> <INCHI_IDENTIFIER>
InChI=1S/C15H29NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;/h3-13H2,1-2H3,(H,18,19);/q;+1/p-1

> <INCHI_KEY>
KSAVQLQVUXSOCR-UHFFFAOYSA-M

> <FORMULA>
C15H28NNaO3

> <MOLECULAR_WEIGHT>
293.3775

> <EXACT_MASS>
293.196688442

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
34.677251853331825

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
sodium 2-(N-methyldodecanamido)acetate

> <ALOGPS_LOGP>
4.51

> <JCHEM_LOGP>
3.5082000000000013

> <ALOGPS_LOGS>
-4.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7556646968364799

> <JCHEM_POLAR_SURFACE_AREA>
46.61

> <JCHEM_REFRACTIVITY>
75.45219999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.58e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium lauroyl sarcosinate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3624

> <NAME>
Sodium lauroyl sarcosinate

> <CAS>
137-16-6

> <SYNONYMS>
(dodecanoyl(methyl)amino)acetic acid; Gardol; Hamposyl L-30; Lauroylsarcosine sodium salt; Maprosyl 30; Medialan LL-99; N-dodecanoyl-n-methylglycine sodium salt; N-dodecanoyl-n-methylglycine, sodium salt; N-lauroylsarcosine sodium; N-lauroylsarcosine sodium salt; N-lauroylsarcosine sodium salt solution; N-Methyl-N-(1-oxododecyl)glycine sodium salt; Sarcosyl; Sarcosyl NL; Sarcosyl NL 30; Sarkosyl NL; Sarkosyl NL 100; Sarkosyl NL 30; Sarkosyl NL 35; Sarkosyl NL 97; Sarkosyl NL-100; Sarkosyl NL-30; Sodium lauroyl sarcosinic acid; Sodium lauroylsarcosinate; Sodium lauroylsarcosine; Sodium n-dodecanoyl-n-methylglycinate; Sodium n-lauroylsarcosinate; Sodium n-lauroylsarcosinate solution; Sodium n-lauroylsarcosine; Sodium [dodecanoyl(methyl)amino]acetate

> <TYPES>
Organic Compound; Amine; Amide; Cosmetic Toxin; Lachrymator; Household Toxin; Natural Compound

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