Basic information
- CAS
33423-91-5- Standard SMILES
CCCCCC(C)N.O=S(=O)(O)O- InChIKey
ASNSHZBVZYSNTB-UHFFFAOYSA-N- Molecular formula
- C7H19NO4S
- Average molar mass
- 213.3 g/mol
- Monoisotopic mass
- 213.10347909
Names & identifiers
- Preferred name
- 2-Heptanamine, sulfate (2:1)
- IUPAC
- heptan-2-amine;sulfuric acid
- English name
- (1-methylhexyl)ammonium sulphate
- Molecular formula
- C7H19NO4S
- Molecular weight
- 213.29506
Names & synonyms
(1)-(1-Methylhexyl)ammonium sulphate2-Heptanamine, sulfate (2:1)EINECS 251-512-833423-91-5Hexylamine, sulfateSPECTRUM1500601(+/-)-2-Heptylamine sulfateCHEMBL1368028SCHEMBL15475282(1-Methylhexyl)ammonium sulphateHMS500N09DTXSID80955049
Show more names
AminoHeptaneSulfate,2-
ASNSHZBVZYSNTB-UHFFFAOYSA-NWLN: ZY5&1 &S-O4HMS1921I13HMS2092A22Pharmakon1600-01500601NSC27117EINECS 222-742-6CCG-39597
Database identifiers
- CAS
33423-91-5、3459-07-2、3595-14-0、6411-75-2- PubChem CID
- 107130
- DTXSID
DTXSID80955049- ChEMBL
CHEMBL1368028- EC Number
- 222-742-6、251-512-8
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 125
Chemistry & industry
Suppliers1 total
Service Chemical Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…