CAS 73441-43-7 1-(4-Isopropylphenyl)ethanamine (HCID 3728039)

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Basic information

CAS: 73441-43-7
Standard SMILES: CC(C)c1ccc(C(C)N)cc1
InChIKey: UHAQMLODFYUKOM-UHFFFAOYSA-N
Molecular formula: C11H17N
Average molar mass: 163.26 g/mol

Names & identifiers

Preferred name: 1-(4-Isopropylphenyl)ethanamine
IUPAC: 1-(4-propan-2-ylphenyl)ethanamine
English name: Benzenemethanamine, alpha-methyl-4-(1-methylethyl)- (9CI)
Molecular formula: C11H17N
Molecular weight: 163.26

Names & synonyms

1-(4-isopropylphenyl)ethanamine73441-43-71-(4-Isopropyl-phenyl)-ethylamine1-(4-propan-2-ylphenyl)ethanamineMFCD021773061-[4-(propan-2-yl)phenyl]ethan-1-amineBenzenemethanamine, alpha-methyl-4-(1-methylethyl)- (9CI)1-(4-ISOPROPYLPHENYL)ETHAN-1-AMINE1-[4-(methylethyl)phenyl]ethylamine1-[4-(propan-2-yl)phenyl]ethanamineBenzenemethanamine, alpha-methyl-4-(1-methylethyl)-, (alphaR)-Benzenemethanamine, alpha-methyl-4-(1-methylethyl)-, (alphaS)-

Show more names

α-methyl-4-isopropylbenzylamineα-Methyl-4-(1-methylethyl)benzenemethanamineBenzenemethanamine, α-methyl-4-(1-methylethyl)-1-(4-isopropylphenyl)ethanamine(SALTDATA: FREE)

1-(4-isopropylphenyl)ethylamine(1R)-1-(4-isopropylphenyl)ethanamineSCHEMBL21870801-(4-isopropylphenyl) ethylamineUHAQMLODFYUKOM-UHFFFAOYSA-NHMS1789L12alpha-methyl-4-isopropylbenzylamineALBB-000313

Database identifiers

CAS: 73441-43-7
PubChem CID: 3728039
EC Number: 890-097-3

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 123

Physicochemical properties

Boiling point: 111 · 111-113 °C(Press: 15 Torr)
Density: 0.923 · 0.923±0.06 g/cm3(Predicted)
pka: 9.18 · 9.18±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H227
Precautionary statements: 501 · P501-P270-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P403+P235
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, 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 CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H227
Precautionary statements: P501-P270-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P403+P235