4-[(Pyridin-4-yl)methyl]aniline

HCID 307158

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Basic information

CAS: 27692-74-6
Standard SMILES: Nc1ccc(Cc2ccncc2)cc1
InChIKey: WZXYYQHVDJMIFF-UHFFFAOYSA-N
Molecular formula: C12H12N2
Average molar mass: 184.24 g/mol
Monoisotopic mass: 184.10004838

Names & identifiers

Preferred name: 4-[(Pyridin-4-yl)methyl]aniline
IUPAC: 4-(pyridin-4-ylmethyl)aniline
English name: 4-(4-PYRIDYLMETHYL)ANILINE
Molecular formula: C12H12N2
Molecular weight: 184.24

Names & synonyms

4-[(pyridin-4-yl)methyl]aniline4-((pyridin-4-yl)methyl)anilineRefChem:509915887-667-94-(pyridin-4-ylmethyl)aniline27692-74-64-(4-pyridylmethyl)aniline4-Pyridin-4-ylmethyl-phenylamineBenzenamine, 4-(4-pyridinylmethyl)-MFCD000530604-(4-aminobenzyl)pyridine4-(4-pyridinylmethyl)phenylamine

Show more names

AKOS B022151AKOS MSC-0758ASISCHEM C15388BUTTPARK 96\57-84IFLAB-BB F0902-4430ART-CHEM-BB B022151TIMTEC-BB SBB007147LABOTEST-BB LT00073086

4-(4-Pyridinylmethyl)-phenylamine4-(4-pyridylmethyl)aniline, AldrichCPRBP-10866SR-010004301694-(4-pyridylmethyl)phenylamineF0902-44304-(4-pyridinylmethyl)aniline[4-(pyridin-4-ylmethyl)phenyl]amine

Database identifiers

CAS: 27692-74-6
PubChem CID: 307158
DTXSID: DTXSID90308562
EC Number: 887-667-9

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 156

Physicochemical properties

Melting point: 152 · 152-153 °C
Boiling point: 354 · 354.0±22.0 °C(Predicted)
Density: 1.121 · 1.121±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: crystalline powder
pka: 5.93 · 5.93±0.10(Predicted)
color: Light yellow
InChI: 1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2
InChIKey: WZXYYQHVDJMIFF-UHFFFAOYSA-N
SMILES: Nc1ccc(Cc2ccncc2)cc1
CAS DataBase Reference: 27692 · 27692-74-6(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 20 · 20/21/22-36/37/38-36-22
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · WGK 3
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.