CAS 5344-20-7 Isohexylamine (HCID 219608)

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Basic information

CAS: 5344-20-7
Standard SMILES: CC(C)CCCN
InChIKey: QVIAMKXOQGCYCV-UHFFFAOYSA-N
Molecular formula: C6H15N
Average molar mass: 101.19 g/mol
Monoisotopic mass: 101.12044948

Names & identifiers

Preferred name: Isohexylamine
IUPAC: 4-methylpentan-1-amine
English name: ISO-HEXYLAMINE
Molecular formula: C6H15N
Molecular weight: 101.19

Names & synonyms

4-methylpentan-1-amineIsohexylamine5344-20-7DTXSID60277195RefChem:791881DTXCID30206275816-666-84-methylpentylamine4-methyl-1-pentanamine1-Pentanamine, 4-methyl-MFCD06212593NSC-1089

Show more names

ISO-HEXYLAMINE4-methylamylamineRARECHEM AL BW 0237Ixazomib Impurity 811-amino-4-methylpentanePregabalin Impurity 137

IsohexylaminNSC1089A6U8SFX49ZSCHEMBL24957SCHEMBL104351SCHEMBL2748889SCHEMBL3021806SCHEMBL3052762

Database identifiers

CAS: 5344-20-7
PubChem CID: 219608
DTXSID: DTXSID60277195
UNII: A6U8SFX49Z
EC Number: 816-666-8
Nikkaji: J192.710H

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 33

Physicochemical properties

Melting point: -94.4 °C · -94.4°C
Boiling point: 123.3 °C · 123.3°C
Density: 0.77 · 0.7700
refractive index: 1.41 · 1.4100
pka: 10.63 · 10.63±0.10(Predicted)
Henry's Law Constant: 2 · 2.0×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
FDA UNII: 6 U8SFX49Z · A6U8SFX49Z
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501