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85608-08-8 | Carbamic acid,[2-(1-piperazinyl)ethyl]-, methyl ester (9CI)
CAS No: 85608-08-8 Catalog No: AG004QH7 MDL No:
Product Description
Catalog Number:
AG004QH7
Chemical Name:
Carbamic acid,[2-(1-piperazinyl)ethyl]-, methyl ester (9CI)
CAS Number:
85608-08-8
Molecular Formula:
C8H17N3O2
Molecular Weight:
187.2395
IUPAC Name:
methyl N-(2-piperazin-1-ylethyl)carbamate
InChI:
InChI=1S/C8H17N3O2/c1-13-8(12)10-4-7-11-5-2-9-3-6-11/h9H,2-7H2,1H3,(H,10,12)
InChI Key:
JLNFUWAUGOXARC-UHFFFAOYSA-N
SMILES:
COC(=O)NCCN1CCNCC1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.132g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.243g/mol
Monoisotopic Mass:
187.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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