(+)-trans-1-(4-Aminomethyl-cyclohexyl)-ethanol

HCID 22481658

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1379351-00-4
Standard SMILES: CC(O)C1CCC(CN)CC1
InChIKey: UWXOEBHRUJZPDQ-UHFFFAOYSA-N
Molecular formula: C9H19NO
Average molar mass: 157.25 g/mol
Monoisotopic mass: 157.14666423

Names & identifiers

Preferred name: (+)-trans-1-(4-Aminomethyl-cyclohexyl)-ethanol
IUPAC: 1-[4-(aminomethyl)cyclohexyl]ethanol

Names & synonyms

(+)-trans-1-(4-Aminomethyl-cyclohexyl)-ethanolSCHEMBL6476697SCHEMBL6476699UWXOEBHRUJZPDQ-YEURCFEDSA-NDTXSID2012478491-[4-(aminomethyl)cyclohexyl]ethan-1-ol1379351-00-4trans-(-)-1-(4-Aminomethyl-cyclohexyl)-ethanolCyclohexanemethanol, 4-(aminomethyl)-I+/--methyl-

Database identifiers

CAS: 1379351-00-4
PubChem CID: 22481658
DTXSID: DTXSID201247849

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 108

Related reactions

2 records

New reaction record

HRID 89530As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 2328365As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…