2-(1-Piperazinyl)acetic acid monohydrate - CAS 667462-09-1

Catalog:	BB033094
Product Name:	2-(1-Piperazinyl)acetic acid monohydrate
CAS:	667462-09-1
Synonyms:	2-piperazin-1-ylacetic acid;hydrate

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Computed Properties

IUPAC Name:	2-piperazin-1-ylacetic acid;hydrate
Description:	2-(1-Piperazinyl)acetic acid monohydrate (CAS# 667462-09-1) is a useful research chemical.
Molecular Weight:	162.19
Molecular Formula:	C6H12N2O2 · H2O
Canonical SMILES:	C1CN(CCN1)CC(=O)O.O
InChI:	InChI=1S/C6H12N2O2.H2O/c9-6(10)5-8-3-1-7-2-4-8;/h7H,1-5H2,(H,9,10);1H2
InChI Key:	XQZJPHXZNNGXHO-UHFFFAOYSA-N
MDL:	MFCD03410261
LogP:	-0.82140

Publication Number	Title	Priority Date
DE-102006050101-B4	MANUFACTURING METHOD FOR A STABILIZED POLYACETAL RESIN, THIS INCLUDING POLYACETAL RESIN COMPOSITION, MOLDED ARTICLES FROM THE POLYACETAL RESIN COMPOSITION, AND USE OF A SUBSTANCE FOR DEGRADING UNSTABLE TERMINI FOR A POLYACETAL RESIN	20051024
US-2005032709-A1	Anti-hypertensive molecules and process for preparation thereof	20030331
US-2006183691-A1	Anti-hypertensive molecules and process for preparation thereof	20030331
US-2008171698-A1	Anti-hypertensive molecules and process for preparation thereof	20030331
US-7335644-B2	Anti-hypertensive molecules and process for preparation thereof	20030331

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.10044231
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	162.10044231
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0