Isobutylaminehydrochloride

HCID 21133

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Basic information

CAS: 5041-09-8
Standard SMILES: CC(C)C[NH3+].[Cl-]
InChIKey: BSMNBEHEFWDHJD-UHFFFAOYSA-N
Molecular formula: C4H12ClN
Average molar mass: 109.6 g/mol

Overview

See also: Isobutylamine Hydrochloride (preferred).

Names & identifiers

Preferred name: Isobutylaminehydrochloride
IUPAC: 2-methylpropylazanium chloride
English name: Isobutylamine hydrochloride
Molecular formula: C4H12ClN
Molecular weight: 109.6

Names & synonyms

ISOBUTYLAMINEHYDROCHLORIDEIsobutylammoniumchloridUNII-K8H0OJB3OI2-methylpropylazanium;chloridei-BAClisobutylamineHClISOBUTYLAMMONIUM CHLORIDEIsobutylamine hydrochlorideIsobutylamineHydrochloride>2-methylpropylazanium chloride2-Methylpropan-1-amine hydrochloride2-Methyl-1-propanamine hydrochloride1-AMINO-2-METHYLPROPANE HYDROCHLORIDE

Show more names

1-Propanamine,2-methyl-, hydrochloride (9CI)

Database identifiers

CAS: 5041-09-8
PubChem CID: 21133

Properties

Computed structural properties

Topological polar surface area: 27.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 17.6

Physicochemical properties

Melting point: 176 to · 176.0 to 180.0 °C
storage temp.: Inert atmosphere,Room Temperature
Water Solubility: almost transparency in Water
form: powder to crystal
color: White to Almost white
FDA UNII: 8 H0OJB3OI · K8H0OJB3OI
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-41-37/38-22
Safety Statements: 26 · 26-36/37/39-39
HS Code: 2921199990 · 2921199990

Safety & regulation

Safety data

hs_code: 2921199990
risk_code: 36/37/38-41-37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37/39-39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications · 1 item

UsesIsobutylamine hydrochloride is an organic amine hydrochloride, and it has been reported in the literature that it can be used to prepare methyl 3-(2-amino-2-thioethyl)benzoate. Methyl 3-(2-amino-2-thioethyl)benzoate is an important fine chemical raw material and pharmaceutical intermediate. It is a key intermediate for the preparation of a novel phosphate transport inhibitor, 2-[[3-[[4-(2-hydroxyethyl)-2-thiazolyl]methyl]benzoyl]amino]-5-(1-piperidinyl)-,(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methylene]benzoylhydrazine.