3-Methyl-3-phenylpiperidine - CAS 19735-13-8

Catalog:	BB015246
Product Name:	3-Methyl-3-phenylpiperidine
CAS:	19735-13-8
Synonyms:	3-methyl-3-phenylpiperidine; 3-methyl-3-phenylpiperidine

Technical Data

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Computed Properties

IUPAC Name:	3-methyl-3-phenylpiperidine
Description:	3-Methyl-3-phenylpiperidine (CAS# 19735-13-8) is a useful research chemical.
Molecular Weight:	175.27
Molecular Formula:	C12H17N
Canonical SMILES:	CC1(CCCNC1)C2=CC=CC=C2
InChI:	InChI=1S/C12H17N/c1-12(8-5-9-13-10-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChI Key:	JMPNCLOLPRVYKK-UHFFFAOYSA-N
Boiling Point:	266.8 °C at 760 mmHg
Density:	0.946 g/cm³
LogP:	2.65650

Publication Number	Title	Priority Date
WO-2019138227-A1	Pharmaceutical compounds	20180110
CN-109641874-A	C for target protein degradation3The glutarimide degron body of carbon connection	20160510
AU-2011349524-A1	Quinoxalines and aza-quinoxalines as CRTH2 receptor modulators	20101223
AU-2011349524-B2	Quinoxalines and aza-quinoxalines as CRTH2 receptor modulators	20101223
CA-2818597-A1	Quinoxalines and aza-quinoxalines as crth2 receptor modulators	20101223

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.136099547
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.136099547
Rotatable Bond Count:	1
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6