IBN

2-METHYLPROPAN-1-AMINE

Created:	2007-06-26
Last modified:	2020-06-05

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1 entries where IBN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	0

2D diagram of IBN

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Chemical Component Summary
Name	2-METHYLPROPAN-1-AMINE
Synonyms	ISOBUTYRONITRILE
Systematic Name (OpenEye OEToolkits)	2-methylpropan-1-amine
Formula	C₄ H₁₁ N
Molecular Weight	73.137
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	NCC(C)C
SMILES	CACTVS	3.341	CC(C)CN
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CN
Canonical SMILES	CACTVS	3.341	CC(C)CN
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)CN
InChI	InChI	1.03	InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
InChIKey	InChI	1.03	KDSNLYIMUZNERS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6558
ChEBI	CHEBI:15997
CCDC/CSD	PONSAO, VECCEN, EYUPAQ, EVEYOV, MIXDEF01, VEXCAD, XIVSIH, ZOYYOE, XIVSON, XOVWIO, BOPTEI, RIZGOX, SOVWEG, XIVSIH01, GUQPOA02, SAHGIV, UCIRUX, BAMHIK, XEFCEU, HELCIO

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