3-(Boc-amino)-1-benzhydrylazetidine - CAS 91189-18-3

Name: 3-(Boc-amino)-1-benzhydrylazetidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040075
Product Name:	3-(Boc-amino)-1-benzhydrylazetidine
CAS:	91189-18-3
Synonyms:	N-[1-(diphenylmethyl)-3-azetidinyl]carbamic acid tert-butyl ester; tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate

Technical Data

IUPAC Name:	tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate
Description:	3-(Boc-amino)-1-benzhydrylazetidine (CAS# 91189-18-3) is a useful research chemical compound.
Molecular Weight:	338.44
Molecular Formula:	C21H26N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI:	InChI=1S/C21H26N2O2/c1-21(2,3)25-20(24)22-18-14-23(15-18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19H,14-15H2,1-3H3,(H,22,24)
InChI Key:	BIVZFVCCXSAZAR-UHFFFAOYSA-N
Boiling Point:	448.8 °C at 760 mmHg
Density:	1.13 g/cm³
Appearance:	White to yellow solid
LogP:	4.31370

GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2006290715-A1	2-aminopyrimidine derivatives as modulators of the histamine H4 receptor activity	20050913
CA-2622372-A1	2-aminopyrimidine derivatives as modulators of the histamine h4 receptor activity	20050913
EP-1928862-A1	2-aminopyrimidine derivatives as modulators of the histamine h4 receptor activity	20050913
US-2009306038-A1	2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity	20050913
WO-2007031529-A1	2-aminopyrimidine derivatives as modulators of the histamine h4 receptor activity	20050913

Complexity:	410
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	338.199428076
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	338.199428076
Rotatable Bond Count:	6
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4