N-Benzylhomopiperazine - CAS 4410-12-2

Catalog:	BB025524
Product Name:	N-Benzylhomopiperazine
CAS:	4410-12-2
Synonyms:	1-benzyl-1,4-diazepane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-benzyl-1,4-diazepane
Description:	N-Benzylhomopiperazine (CAS# 4410-12-2) is a useful research chemical.
Molecular Weight:	190.28
Molecular Formula:	C12H18N2
Canonical SMILES:	C1CNCCN(C1)CC2=CC=CC=C2
InChI:	InChI=1S/C12H18N2/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14/h1-3,5-6,13H,4,7-11H2
InChI Key:	JTJTYCPQUOROFM-UHFFFAOYSA-N
Boiling Point:	286.5 °C at 760 mmHg
Purity:	98 %
Density:	1.028 g/cm³
Appearance:	Colorless liquid.
MDL:	MFCD00800858
LogP:	1.74860

Publication Number	Title	Priority Date
CN-211383856-U	Rectification and purification device for preparing benzyl homopiperazine	20191125
CN-211487697-U	Benzyl homopiperazine preparation raw materials reaction unit	20191125
CN-110343077-A	A kind of 1- benzyl homopiperazine alkane separation method	20190712
CN-210815161-U	1-benzyl homopiperazine synthesis reactor	20190712
WO-2020184670-A1	Method for introducing deuterated lower alkyl into amine moiety of compound containing secondary amine	20190313

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Related Functional Groups

Piperazines

[25629-32-7]
(3-Oxopiperazin-1-yl)acetic acid
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1197237-96-9]
3-(4-Propylpiperazin-1-yl)propan-1-amine trihydrochloride
[16017-53-1]
1-(4-Chloro-benzenesulfonyl)-piperazine
[55276-43-2]
1-Methanesulfonylpiperazine
[1191255-65-8]
Ethyl [4-(3,3,3-trifluoropropyl)piperazin-1-yl]acetate

GHS Hazard Statement:	H302 (88.89%): 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:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
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:	2
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5