1-(2-Phenylethyl)piperidin-4-amine (HCID 10728788)

Names & identifiers

Preferred name: 1-(2-Phenylethyl)piperidin-4-amine
IUPAC: 1-(2-phenylethyl)piperidin-4-amine
English name: 1-Phenethyl-piperidin-4-ylamine
Molecular formula: C13H20N2
Molecular weight: 204.31

Names & synonyms

1-(2-phenylethyl)piperidin-4-amineRefChem:422620675-996-91-phenethylpiperidin-4-amine51448-56-74-Amino-1-N-phenylethylpiperidine4-amino-1-phenethylpiperidine1-Phenethyl-piperidin-4-ylamineMFCD03411613CHEMBL4234301-(2-PHENYLETHYL)-4-PIPERIDINAMINE4-piperidinamine, 1-(2-phenylethyl)-, dihydrochloride

Show more names

N-phenylethyl-4-aminopiperidineN-(PHENETHYL)-4-AMINO-PIPERIDINE1-(2-Phenethyl)-4-Amino Piperidine

1-(2-PHENYLETHYL)PIPERIDIN-4-AMINE DIHYDROCHLORIDEn-(2-phenethyl)-4-aminopiperidinen-(2-phenethyl)-4-amino piperidine(phenethyl)-4-aminopiperidin1-phenethyl-4-aminopiperidine-(phenethyl)-4-aminopiperidinSCHEMBL18034842-phenylethyl-4-aminopiperidine

Database identifiers

CAS: 1209-04-7、51448-56-7
PubChem CID: 10728788
DTXSID: DTXSID70444078
ChEMBL: CHEMBL423430
EC Number: 180-911-9、675-996-9

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 167

Physicochemical properties

Boiling point: 142 ℃ · 142℃ (0.10 Torr)
Density: 1.004 · 1.004±0.06 g/cm3(Predicted)
pka: 10.48 · 10.48±0.20(Predicted)
form: solid
InChI: 1S/C13H20N2/c14-13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11,14H2
InChIKey: BCEKLYJIVXGPLQ-UHFFFAOYSA-N
SMILES: NC1CCN(CC1)CCc2ccccc2
CAS DataBase Reference: 51448 · 51448-56-7(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 501 · P501-P210-P280-P370+P378-P403+P235
Hazard Codes: T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
WGK Germany: 3 · WGK 3
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 4 reports by companies from 4 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 Categories · 2 items

Acute Tox. 3 (25%)；Acute Tox. 4 (50%)；Skin Corr. 1B (75%)；STOT SE 3 (50%)

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

wgk: WGK 3
risk_code: 25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 45
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H227
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P501-P210-P280-P370+P378-P403+P235