2-Amino-2-benzylhexan-1-ol

HCID 58856331

Notes Reactions

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Basic information

CAS: 853303-78-3
Standard SMILES: CCCCC(N)(CO)Cc1ccccc1
InChIKey: HTDZEACPLKPNFM-UHFFFAOYSA-N
Molecular formula: C13H21NO
Average molar mass: 207.31 g/mol
Monoisotopic mass: 207.16231429

Names & identifiers

Preferred name: 2-Amino-2-benzylhexan-1-ol
IUPAC: 2-amino-2-benzylhexan-1-ol

Names & synonyms

2-amino-2-benzylhexan-1-ol853303-78-32-amino-2-benzylhexane-1-olSCHEMBL2212796HTDZEACPLKPNFM-UHFFFAOYSA-NDTXSID901306197I(2)-Amino-I(2)-butylbenzenepropanolDA-02259

Database identifiers

CAS: 853303-78-3
PubChem CID: 58856331
DTXSID: DTXSID901306197

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 166

Related reactions

3 records

New reaction record

HRID 160802As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 899443As productuspto-grants-2008_04

HRID 899468As reactantuspto-grants-2008_04

Compound notes

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