CAS 22537-07-1 Pent-4-enylamine (HCID 533854)

Substructure search Find similar structures

Basic information

CAS: 22537-07-1
Standard SMILES: C=CCCCN
InChIKey: UVBBCQLPTZEDHT-UHFFFAOYSA-N
Molecular formula: C5H11N
Average molar mass: 85.15 g/mol
Monoisotopic mass: 85.08914936

Names & identifiers

Preferred name: Pent-4-enylamine
IUPAC: pent-4-en-1-amine
English name: PENT-4-ENYLAMINE HYDROCHLORIDE
Molecular formula: C5H11N
Molecular weight: 85.15

Names & synonyms

Pent-4-enylamineRefChem:859656800-972-34-Penten-1-aminepent-4-en-1-amine22537-07-1MFCD084376254-pentenylamine5-amino-1-pentene4-Penten-1-amine #SCHEMBL93877SCHEMBL93878

Show more names

1-AMino-4-pentene4-pentenyl-1-amine4-PentenaMine5-AMinopent-1-ene1-Pentene-5-amine

SCHEMBL134701SCHEMBL535034SCHEMBL2350748SCHEMBL3847439SCHEMBL7125354SCHEMBL13260474DTXSID70336444AKOS011895494

Database identifiers

CAS: 22537-07-1
PubChem CID: 533854
DTXSID: DTXSID70336444
EC Number: 800-972-3
Nikkaji: J97.607E

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 6
Formal charge: 0
Complexity: 32

Physicochemical properties

Boiling point: 96 ℃ · 96℃
Density: 0.775 · 0.775
refractive index: 1.428 · 1.428
Flash point: 4 ℃ · 4℃
solubility: Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly)
form: liquid
pka: 10.32 · 10.32±0.10(Predicted)
color: Colourless
Stability: Volatile
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H314
Precautionary statements: 210 · P210-P280-P305+P351+P338-P310
HS Code: 2921199990 · 2921199990

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (95%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (95%)；Eye Dam. 1 (95%)

Safety data

hs_code: 2921199990
Signal word: Danger
Symbol(GHS): GHS02,GHS05
Hazard statements: H225-H314
Precautionary statements: P210-P280-P305+P351+P338-P310

Chemistry & industry

Applications

UsesIn the presence of sugars, lysine, similarly to asparagine and phenylalanine, can undergo carbonyl-assisted decarboxylative deamination reaction to generate pent-4-en-1-amine, the counterpart of acryl amide.