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N,N'-Dilaurylthiodipropionamide

HCID 82685
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Basic information

CAS
10508-00-6
Standard SMILES
CCCCCCCCCCCCNC(=O)CCSCCC(=O)NCCCCCCCCCCCC
InChIKey
OGZYGXNNROAPTD-UHFFFAOYSA-N
Molecular formula
C30H60N2O2S
Average molar mass
512.9 g/mol
Monoisotopic mass
512.43755033

Names & identifiers

Preferred name
N,N'-Dilaurylthiodipropionamide
IUPAC
N-dodecyl-3-[3-(dodecylamino)-3-oxopropyl]sulfanylpropanamide
English name
3,3'-thiobis[N-dodecylpropionamide]
Molecular formula
C30H60N2O2S
Molecular weight
512.87

Names & synonyms

Propanamide, 3,3'-thiobis[N-dodecyl-N,N'-DilaurylthiodipropionamideEINECS 234-041-2E28TR0N0ID3,3'-Thiobis[N-dodecylpropionamide]Propanamide, 3,3'-thiobis(N-dodecyl-3,3'-Thiobis(N-dodecylpropionamide)UNII-E28TR0N0IDNSC 137816NSC-137816Propionamide, 3,3'-thiobis(N-dodecyl-DTXSID9065100
Show more names
Propanamide,3,3'-thiobis[N-dodecyl-thiodipropionic acid bis-n-dodecylamide
3,3'-THIOBIS(N-DODECYLPROPANAMIDE)3,3'-Thiobis[N-dodecylpropanamide]RefChem:161007DTXCID6032930Propionamide, 3,3'-thiobis(N-dodecyl-(8CI)10508-00-6N-dodecyl-3-[3-(dodecylamino)-3-oxopropyl]sulfanylpropanamideNSC137816

Database identifiers

CAS
10508-00-6
PubChem CID
82685
DTXSID
DTXSID9065100
UNII
E28TR0N0ID
EC Number
234-041-2
Nikkaji
J212.439D

Properties

Computed structural properties

XLogP
10.5
Topological polar surface area
83.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
28
Heavy atoms
35
Formal charge
0
Complexity
420

Physicochemical properties

Melting point
140 °C · 140 °C
Boiling point
675.9 · 675.9±40.0 °C(Predicted)
Density
0.933 · 0.933±0.06 g/cm3(Predicted)
pka
15.61 · 15.61±0.46(Predicted)
FDA UNII
28 TR0N0ID · E28TR0N0ID
EPA Substance Registry System
3 · Propanamide, 3,3'-thiobis[N-dodecyl- (10508-00-6)
TSCA
TSCA listed
HS Code
2930909099 · 2930909099

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed
hs_code
2930909099

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanamide, 3,3'-thiobis[N-dodecyl-: INACTIVE

Related reactions

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Compound notes

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