3-Hexanol, 4-amino-2-methyl-

HCID 44674

Notes Reactions

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Basic information

CAS: 63765-80-0
Standard SMILES: CCC(N)C(O)C(C)C
InChIKey: KHRLRJPSKWLLPI-UHFFFAOYSA-N
Molecular formula: C7H17NO
Average molar mass: 131.22 g/mol
Monoisotopic mass: 131.13101416

Names & identifiers

Preferred name: 3-Hexanol, 4-amino-2-methyl-
IUPAC: 4-amino-2-methylhexan-3-ol
English name: 4-Amino-2-methyl-3-hexanol
Molecular formula: C7H17NO
Molecular weight: 131.22

Names & synonyms

63765-80-03-HEXANOL, 4-AMINO-2-METHYL-RefChem:10679004-amino-2-methylhexan-3-ol4-Amino-2-methyl-3-hexanolUSAF CS-4AI3-50968NSC17703DTXSID20980299NSC 17703NSC-17703AKOS011596750

Show more names

DB-295124EN300-247813

Database identifiers

CAS: 63765-80-0
PubChem CID: 44674
DTXSID: DTXSID20980299
Nikkaji: J73.726G

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 73.3

Physicochemical properties

Melting point: -12.63 °C · -12.63°C (estimate)
Boiling point: 242.56 °C · 242.56°C (rough estimate)
Density: 0.8662 · 0.8662 (estimate)
refractive index: 1.4332 · 1.4332 (estimate)

Related reactions

5 records

New reaction record

HRID 155549As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 686594As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 955048As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1146197As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1570458As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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