Cis-4-(methylamino)cyclohexanecarboxylic acid
Basic information
- CAS
83369-52-2- 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 Ų
- 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 information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
Related reactions
3 records
Compound notes
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