Basic information
- Standard SMILES
CC(O)CN.CCCCCCCCCCCCCCCCCC(=O)O- InChIKey
TUSQGJPKLFNBCZ-UHFFFAOYSA-N- Molecular formula
- C21H45NO3
- Average molar mass
- 359.6 g/mol
- Monoisotopic mass
- 359.3399443
Names & identifiers
- Preferred name
- Octadecanoic acid, compd. with 1-amino-2-propanol (1:1)
- IUPAC
- 1-aminopropan-2-ol;octadecanoic acid
- English name
- stearic acid, compound with 1-aminopropan-2-ol (1:1)
- Molecular formula
- C18H36O2.C3H9NO
- Molecular weight
- 359.5869
Names & synonyms
10042-65-6EINECS 233-127-7DTXSID50884251RefChem:167649DTXCID9010237051-aminopropan-2-ol;octadecanoic acidStearic acid, compound with 1-aminopropan-2-ol (1:1)SCHEMBL8823863NS00082565Octadecanoic acid--1-aminopropan-2-ol (1/1)OctaDecanoic acid, 1-amino-2-propanol (1:1)
Database identifiers
- CAS
10042-65-6- PubChem CID
- 165799
- DTXSID
DTXSID50884251- EC Number
- 233-127-7
Properties
Computed structural properties
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Indirect Additives used in Food Contact Substances
- MONOISOPROPANOLAMINE STEARATE
- FDA 21 CFR
- 176.18 · 176.180; 176.210
- EPA Substance Registry System
- 1 · Octadecanoic acid, compd. with 1-amino-2-propanol (1:1) (10042-65-6)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, compd. with 1-amino-2-propanol (1:1): ACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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