CAS 5454-82-0 1-Cyclobutylmethanamine hydrochloride (HCID 21707944)

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Basic information

CAS: 5454-82-0
Standard SMILES: Cl.NCC1CCC1
InChIKey: JVZOVVGVPJVLSL-UHFFFAOYSA-N
Molecular formula: C5H12ClN
Average molar mass: 121.61 g/mol
Monoisotopic mass: 121.06582706

Names & identifiers

Preferred name: 1-Cyclobutylmethanamine hydrochloride
IUPAC: cyclobutylmethanamine;hydrochloride
English name: Cyclobutylmethylamine hydrochloride
Molecular formula: C5H12ClN
Molecular weight: 121.61

Names & synonyms

1-cyclobutylmethanamine hydrochlorideRefChem:431600814-533-95454-82-0cyclobutylmethanamine hydrochlorideCyclobutylmethylamine hydrochloride1-Cyclobutylmethylamine hydrochlorideCYCLOBUTANEMETHANAMINE HYDROCHLORIDEcyclobutylmethanamine;hydrochlorideMFCD00034952(AMINOMETHYL)CYCLOBUTANE HYDROCHLORIDENSC 23227

Show more names

C-Cyclobutyl-methylamineCyclobutylMethylaMine, HClCyclobutaneMethanaMine HClCyclobutaneMethanaMine, hydrochloride (1:1)

Cyclobutanemethanamine, hydrochloride(cyclobutylmethyl)amine hydrochlorideCyclobutylmethylamine,SCHEMBL17446DTXSID20617194JVZOVVGVPJVLSL-UHFFFAOYSA-Ncyclobutanemethylamine hydrochloride(AMINOMETHYL)CYCLOBUTANE HCL

Database identifiers

CAS: 5454-82-0
PubChem CID: 21707944
DTXSID: DTXSID20617194
EC Number: 814-533-9

Properties

Computed structural properties

Topological polar surface area: 26 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 39.2

Physicochemical properties

Melting point: 212 °C · >212°C (dec.)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form: Solid
color: Off-White to Pale Beige
Stability: Hygroscopic
InChI: InChI=1S/C5H11N.ClH/c6-4-5-2-1-3-5;/h5H,1-4,6H2;1H
InChIKey: JVZOVVGVPJVLSL-UHFFFAOYSA-N
SMILES: C(C1CCC1)N.Cl
CAS DataBase Reference: 5454 · 5454-82-0
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
HS Code

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.