2-[4-(tert-Butyl)phenyl]pyrrolidine - CAS 383127-16-0

Catalog:	BB023617
Product Name:	2-[4-(tert-Butyl)phenyl]pyrrolidine
CAS:	383127-16-0
Synonyms:	2-(4-tert-butylphenyl)pyrrolidine; 2-(4-tert-butylphenyl)pyrrolidine

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Computed Properties

IUPAC Name:	2-(4-tert-butylphenyl)pyrrolidine
Description:	2-[4-(tert-Butyl)phenyl]pyrrolidine (CAS# 383127-16-0) is a useful research chemical.
Molecular Weight:	203.32
Molecular Formula:	C14H21N
Canonical SMILES:	CC(C)(C)C1=CC=C(C=C1)C2CCCN2
InChI:	InChI=1S/C14H21N/c1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13/h6-9,13,15H,4-5,10H2,1-3H3
InChI Key:	JFBLTILAHRPXNP-UHFFFAOYSA-N

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.167399674
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.167399674
Rotatable Bond Count:	2
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5