2-(4-(Propan-2-yl)phenyl)ethan-1-amine

HCID 410082

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 84558-03-2
Standard SMILES: CC(C)c1ccc(CCN)cc1
InChIKey: ZBLQKSNIFYXZTI-UHFFFAOYSA-N
Molecular formula: C11H17N
Average molar mass: 163.26 g/mol
Monoisotopic mass: 163.13609954

Names & identifiers

Preferred name: 2-(4-(Propan-2-yl)phenyl)ethan-1-amine
IUPAC: 2-(4-propan-2-ylphenyl)ethanamine
English name: Benzeneethanamine, 4-(1-methylethyl)- (9CI)
Molecular formula: C11H17N
Molecular weight: 163.26

Names & synonyms

2-[4-(propan-2-yl)phenyl]ethan-1-amine2-(4-(Propan-2-yl)phenyl)ethan-1-amineRefChem:456563829-620-784558-03-22-(4-isopropylphenyl)ethanamine2-(4-propan-2-ylphenyl)ethanamine2-(4-Isopropyl-phenyl)-ethylamine4-isopropylphenethylamineMFCD06212662Benzeneethanamine,4-(1-methylethyl)-2-(4-isopropylphenyl)ethan-1-amine

Show more names

2-(4-Isopropylphenyl)ethanamine HCl2-(4-ISOPROPYLPHENYL)ETHANAMINE（WS204101）Benzeneethanamine, 4-(1-methylethyl)- (9CI)

Benzeneethanamine, 4-(1-methylethyl)-2-(4-isopropylphenyl)ethylamineSCHEMBL717640(4-Isopropylbenzyl)methanamineSCHEMBL4958605V54F7K42UA(4-isopropyl-benzyl)methylamineDTXSID30328421

Database identifiers

CAS: 84558-03-2
PubChem CID: 410082
DTXSID: DTXSID30328421
UNII: V54F7K42UA
EC Number: 829-620-7

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 112

Physicochemical properties

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 · 4 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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications 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