3-Benzylpyrrolidine - CAS 170304-83-3

Catalog:	BB012633
Product Name:	3-Benzylpyrrolidine
CAS:	170304-83-3
Synonyms:	3-(phenylmethyl)pyrrolidine; 3-benzylpyrrolidine

Technical Data

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Computed Properties

IUPAC Name:	3-benzylpyrrolidine
Description:	3-Benzylpyrrolidine (CAS# 170304-83-3) is a useful reactant in organic synthesis.
Molecular Weight:	161.24
Molecular Formula:	C11H15N
Canonical SMILES:	C1CNCC1CC2=CC=CC=C2
InChI:	InChI=1S/C11H15N/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,11-12H,6-9H2
InChI Key:	HFBLCYZEOGXHDP-UHFFFAOYSA-N
Boiling Point:	255.7 °C at 760 mmHg
Density:	0.988 g/cm³
MDL:	MFCD01862537
LogP:	2.16740

Publication Number	Title	Priority Date
WO-2021113682-A1	Masp-2 inhibitors and methods of use	20191204
WO-2019180207-A1	Traf 6 inhibitors	20180322
EP-3768678-A1	Traf 6 inhibitors	20180322
US-2021017183-A1	Traf 6 inhibitors	20180322
US-2021094950-A1	Kinase inhibitor compounds and compositions and methods of use	20180320

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Related Functional Groups

Pyrrolidines

[18471-41-5]
3-Amino-1-phenylpyrrolidine
[1096881-75-2]
1-Benzhydryl-3-pyrrolidinone
[1627185-88-9]
tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
[2006277-06-9]
1-(5-Bromopentyl)pyrrolidine Hydrobromide
[75847-73-3]
Enalapril
[14398-95-9]
Ethyl 1-methylpyrrolidine-3-carboxylate

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GHS Hazard Statement:	H302 (50%): 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:	127
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:	2
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1