Chemical Components in the PDB

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01H : Summary

Code

01H

One-letter code

X

Molecule name

4-hydrazinylbutan-1-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 4-hydrazinylbutan-1-amine
OpenEye OEToolkits 1.7.0 4-hydrazinylbutan-1-amine

Formula

C4 H13 N3

Formal charge

0

Molecular weight

103.166 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NCCCCNN
SMILES CACTVS 3.370 NCCCCNN
SMILES OpenEye OEToolkits 1.7.0 C(CCNN)CN
Canonical SMILES CACTVS 3.370 NCCCCNN
Canonical SMILES OpenEye OEToolkits 1.7.0 C(CCNN)CN

IUPAC InChI

InChI=1S/C4H13N3/c5-3-1-2-4-7-6/h7H,1-6H2

IUPAC InChI key

VZNAZYIHCOSQCQ-UHFFFAOYSA-N

Is part of

ALZ , AZL
01H

wwPDB Information

Atom count

20 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-02-22

Last modified at

2012-01-13

Status

Released

Obsoleted

Not Assigned