1-[3-(Dimethylamino)propyl]piperazine - CAS 877-96-3

Catalog:	BB038637
Product Name:	1-[3-(Dimethylamino)propyl]piperazine
CAS:	877-96-3
Synonyms:	N,N-dimethyl-3-piperazin-1-ylpropan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
Description:	1-[3-(Dimethylamino)propyl]piperazine (CAS# 877-96-3) is a useful research chemical.
Molecular Weight:	171.28
Molecular Formula:	C9H21N3
Canonical SMILES:	CN(C)CCCN1CCNCC1
InChI:	InChI=1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3
InChI Key:	YJRGRZJKGMBHIB-UHFFFAOYSA-N
Boiling Point:	88 °C
Purity:	> 98 %
Density:	0.911 g/cm³
Appearance:	Clear, light yellow liquid
MDL:	MFCD00082601
LogP:	0.11000

Publication Number	Title	Priority Date
CN-112940212-A	Polyurethane catalyst, automotive polyurethane material and preparation method thereof	20210204
CN-112961303-A	Softening agent for soft polyurethane foam and application thereof	20210204
WO-2021191240-A1	Combination therapy	20200324
WO-2020204864-A1	Benzoxazole derivative compounds with anticancer effects	20190401
CN-111253397-A	MNK inhibitors	20181130

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GHS Hazard Statement:	H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.173547683
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.173547683
Rotatable Bond Count:	4
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0