CAS 29608-05-7 4-(Piperidin-1-ylmethyl)aniline (HCID 846150)

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Basic information

CAS: 29608-05-7
Standard SMILES: Nc1ccc(CN2CCCCC2)cc1
InChIKey: DRYFDUUAYSVNSN-UHFFFAOYSA-N
Molecular formula: C12H18N2
Average molar mass: 190.28 g/mol
Monoisotopic mass: 190.14699858

Names & identifiers

Preferred name: 4-(Piperidin-1-ylmethyl)aniline
IUPAC: 4-(piperidin-1-ylmethyl)aniline
English name: 4-Piperidin-1-ylmethyl-phenylamine
Molecular formula: C12H18N2
Molecular weight: 190.28

Names & synonyms

4-(piperidin-1-ylmethyl)aniline29608-05-7DTXSID80357165RefChem:289338DTXCID90308224810-866-94-Piperidin-1-ylmethyl-phenylamine4-(PIPERIDYLMETHYL)ANILINE4-(1-piperidinylmethyl)anilineBENZENAMINE, 4-(1-PIPERIDINYLMETHYL)-4-(Piperidylmethyl)phenylamine4-piperidin-1-ylmethyl-aniline

Show more names

AKOS B014375AKOS MSC-0180ASISCHEM W54645TIMTEC-BB SBB007056ART-CHEM-BB B014375ART-CHEM-BB B0160204-(1-piperidylmethyl)aniline

4-aminobenzylpiperidineMFCD034225164-[(piperidin-1-yl)methyl]aniline4-(piperidin-1-ylmethyl)benzenamine4-(Piperidinomethyl)aniline1-(4-Aminobenzyl)piperidineBAS 054384884-piperidin-1-ylmethylphenylamine

Database identifiers

CAS: 29608-05-7
PubChem CID: 846150
DTXSID: DTXSID80357165
EC Number: 810-866-9
Nikkaji: J2.502.212B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 156

Physicochemical properties

Melting point: 90 · 90-93
Boiling point: 308.7 · 308.7±17.0 °C(Predicted)
Density: 1.068 · 1.068±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: crystalline powder
pka: 9 · 9+-.0.10(Predicted)
color: Brown
CAS DataBase Reference: 29608 · 29608-05-7(CAS DataBase Reference)
UNSPSC Code: 12352116 · 12352116
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: C
Hazard Note: Corrosive/Harmful
HS Code

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (75%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C
hazard_note: Corrosive/Harmful
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313