Cis-4-(methylamino)cyclohexanecarboxylic acid

HCID 429561CAS 83369-52-2

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Basic information

Standard SMILES: CNC1CCC(C(=O)O)CC1
InChIKey: DYQVRDISZFVXHV-UHFFFAOYSA-N
Molecular formula: C8H15NO2
Average molar mass: 157.21 g/mol
Monoisotopic mass: 157.11027872

Names & identifiers

Preferred name: Cis-4-(methylamino)cyclohexanecarboxylic acid
IUPAC: 4-(methylamino)cyclohexane-1-carboxylic acid
English name: Cyclohexanecarboxylic acid, 4-(methylamino)-
Molecular formula: C8H15NO2
Molecular weight: 157.21

Names & synonyms

83369-52-2cis-4-(methylamino)cyclohexanecarboxylic acidDTXSID40330454RefChem:334231DTXCID502815494-(methylamino)cyclohexanecarboxylic acid7421-89-84-(methylamino)cyclohexane-1-carboxylic acid(1s,4s)-4-(methylamino)cyclohexane-1-carboxylic acid7607-90-1Cyclohexanecarboxylic acid, 4-(methylamino)-trans-4-(methylamino)cyclohexanecarboxylic acid

Show more names

4-(Methylamino)cyclohexanecarboxylic acid HCl4-(methylamino)cyclohexane-1-carboxylic acid hydrochloride

SCHEMBL1908651SCHEMBL2241478SCHEMBL2241481SCHEMBL9293321DYQVRDISZFVXHV-KNVOCYPGSA-NDYQVRDISZFVXHV-LJGSYFOKSA-NDYQVRDISZFVXHV-UHFFFAOYSA-Ncis-4-(methylamino)cyclohexanoic acid

Database identifiers

CAS: 83369-52-2
PubChem CID: 429561
DTXSID: DTXSID40330454

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Physicochemical properties

storage temp.: Store at Room Tem.
Appearance: white solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501