3-Pyridinecarboxylicacid,2-(hexahydro-1H-1,4-diazepin-1-yl)-

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Catalog Number
ACM502133495
Product Name
3-Pyridinecarboxylicacid,2-(hexahydro-1H-1,4-diazepin-1-yl)-
Structure
Structure
CAS
502133-49-5
Category
Heterocyclic Organic Compound
Synonyms
4-(3-CARBOXY-PYRIDIN-2-YL)-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
IUPAC Name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
Molecular Weight
321.37
Molecular Formula
C11H15N3O2
Canonical SMILES
CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=CC=N2)C(=O)O
InChI Key
VNNVAWDHPDFXLR-UHFFFAOYSA-N
Boiling Point
490.5ºC at 760 mmHg
Flash Point
250.4ºC
Density
1.219g/cm³
Exact Mass
321.16900
H-Bond Acceptor
6
H-Bond Donor
1
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