(1-Phenylcyclopentyl)methanamine

HCID 205131

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Basic information

CAS: 17511-89-6
Standard SMILES: NCC1(c2ccccc2)CCCC1
InChIKey: SJWOFBVBNFLWLP-UHFFFAOYSA-N
Molecular formula: C12H17N
Average molar mass: 175.27 g/mol
Monoisotopic mass: 175.13609955

Names & identifiers

Preferred name: (1-Phenylcyclopentyl)methanamine
IUPAC: (1-phenylcyclopentyl)methanamine
English name: (1-PHENYLCYCLOPENTYL)METHYLAMINE
Molecular formula: C12H17N
Molecular weight: 175.27

Names & synonyms

(1-phenylcyclopentyl)methanamine1-(1-PHENYLCYCLOPENTYL)METHANAMINE1-Phenylcyclopentanemethanamine1-(1-phenylcyclopentyl)methylamineCyclopentanemethanamine, 1-phenyl-C-(1-Phenyl-cyclopentyl)-methylamine1-METHYLAMINE-1-BENZYL-CYCLOPENTANECyclopentanemethylamine, 1-phenyl-BRN 2936636UNII-03L0BL8FBICHEBI:39505DTXSID90169933

Show more names

(1-phenylcyclopentyl)methanamine hydrochloride1-(1-phenylcyclopentyl)methanamine(SALTDATA: FREE)

4-12-00-02971 (Beilstein Handbook Reference)RefChem:68140DTXCID3092424843-912-117511-89-6(1-phenylcyclopentyl)methylamine1-PhenylcyclopentanemethylamineMFCD00995874

Database identifiers

CAS: 17511-89-6
PubChem CID: 205131
DTXSID: DTXSID90169933
ChEMBL: CHEMBL382127
ChEBI: CHEBI:39505
UNII: 03L0BL8FBI
EC Number: 843-912-1
Nikkaji: J77.969E

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 153

Physicochemical properties

Boiling point: 129 · 129-130 °C(Press: 7 Torr)
Density: 0.995 · 0.995±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 10.27 · 10.27±0.29(Predicted)
Appearance: Colorless to light yellow Liquid
FDA UNII: 3 L0BL8FBI · 03L0BL8FBI
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
HS Code: 2921490090 · 2921490090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302+H312 (50%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.