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Home > Aldehydes > 210553-81-4
210553-81-4 | 1-Piperazinecarboxaldehyde, 4-(3-hydroxypropyl)-
CAS No: 210553-81-4 Catalog No: AG002KVD MDL No:
Product Description
Catalog Number:
AG002KVD
Chemical Name:
1-Piperazinecarboxaldehyde, 4-(3-hydroxypropyl)-
CAS Number:
210553-81-4
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
IUPAC Name:
4-(3-hydroxypropyl)piperazine-1-carbaldehyde
InChI:
InChI=1S/C8H16N2O2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h8,11H,1-7H2
InChI Key:
RLWWLTGLDWNCLS-UHFFFAOYSA-N
SMILES:
OCCCN1CCN(CC1)C=O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.228g/mol
Monoisotopic Mass:
172.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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