(S)-N-Benzyl-3-methylaminopyrrolidine - CAS 169749-99-9

Catalog:	BB012570
Product Name:	(S)-N-Benzyl-3-methylaminopyrrolidine
CAS:	169749-99-9
Synonyms:	(3S)-N-methyl-1-(phenylmethyl)-3-pyrrolidinamine; (3S)-1-benzyl-N-methylpyrrolidin-3-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3S)-1-benzyl-N-methylpyrrolidin-3-amine
Description:	(S)-N-Benzyl-3-methylaminopyrrolidine (CAS# 169749-99-9) is a useful research chemical.
Molecular Weight:	190.28
Molecular Formula:	C12H18N2
Canonical SMILES:	CNC1CCN(C1)CC2=CC=CC=C2
InChI:	InChI=1S/C12H18N2/c1-13-12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-/m0/s1
InChI Key:	UEAYAIWNQQWSBK-LBPRGKRZSA-N
Boiling Point:	273.066 °C at 760 mmHg
Density:	0.99 g/cm³
LogP:	1.80910

Publication Number	Title	Priority Date
EP-3458449-A1	Benzenesulfonamide compounds and their use as therapeutic agents	20160520
JP-2019516737-A	Benzenesulfonamide compounds and their use as therapeutic agents	20160520
KR-20190007050-A	Benzenesulfonamide compounds and their use as therapeutic agents	20160520
US-10246453-B2	Benzenesulfonamide compounds and their use as therapeutic agents	20160520
US-10662184-B2	Benzenesulfonamide compounds and their use as therapeutic agents	20160520

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	190.146998583
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.146998583
Rotatable Bond Count:	3
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5