Methyl 2-amino-3-cyclohexylpropanoate
Basic information
- CAS
789460-77-1- Standard SMILES
COC(=O)C(N)CC1CCCCC1- InChIKey
XPEUJVMSARYTLS-UHFFFAOYSA-N- Molecular formula
- C10H19NO2
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.14157885
Names & identifiers
- Preferred name
- Methyl 2-amino-3-cyclohexylpropanoate
- IUPAC
- methyl 2-amino-3-cyclohexylpropanoate
- English name
- B-Cycloheyl-dl-alamin-methyl ester
- Molecular formula
- C10H19NO2
- Molecular weight
- 185.26
Names & synonyms
methyl 2-amino-3-cyclohexylpropanoate789460-77-1MFCD06656849Methyl 2-amino-3-cyclohexyl-propanoateSCHEMBL702585methyl2-amino-3-cyclohexylpropanoateAKOS013465344PD196476CS-0183727EN300-179075P18306B-Cycloheyl-dl-alamin-methyl ester
Show more names
METHYL 2-AMINO-3-CYCLOHEXYLPROPANOATE(WXG03206)Cyclohexanepropanoic acid, α-amino-, methyl ester
Database identifiers
- CAS
789460-77-1- PubChem CID
- 3481897
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 251.1 · 251.1±13.0 °C(Predicted)
- Density
- 1.003 · 1.003±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 7.87 · 7.87±0.33(Predicted)
- CAS DataBase Reference
- 789460 · 789460-77-1
- 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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