2-(3-Methylphenyl)pyrrolidine - CAS 72216-05-8

Catalog:	BB034572
Product Name:	2-(3-Methylphenyl)pyrrolidine
CAS:	72216-05-8
Synonyms:	2-(3-methylphenyl)pyrrolidine; 2-(3-methylphenyl)pyrrolidine

Technical Data

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Computed Properties

IUPAC Name:	2-(3-methylphenyl)pyrrolidine
Description:	2-(3-Methylphenyl)pyrrolidine (CAS# 72216-05-8) is a useful research chemical.
Molecular Weight:	161.24
Molecular Formula:	C11H15N
Canonical SMILES:	CC1=CC=CC(=C1)C2CCCN2
InChI:	InChI=1S/C11H15N/c1-9-4-2-5-10(8-9)11-6-3-7-12-11/h2,4-5,8,11-12H,3,6-7H2,1H3
InChI Key:	UUTBSNFHBOVJLI-UHFFFAOYSA-N
Boiling Point:	256.7 °C at 760 mmHg
Density:	0.975 g/cm³
MDL:	MFCD02663444
LogP:	2.74830

Publication Number	Title	Priority Date
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.120449483
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.120449483
Rotatable Bond Count:	1
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2