AG003IBM

7528-78-1 | 3,3,3-Nitrilotripropionitrile

AG003IBM

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CAS Number	7528-78-1
Catalog Number	AG003IBM(AGN-PC-0JLTN2)
Chemical Name	3,3,3-Nitrilotripropionitrile
IUPAC Name	3-[bis(2-cyanoethyl)amino]propanenitrile
InChI	InChI=1S/C9H12N4/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2
InChI Key	FYYPYNRGACGNNN-UHFFFAOYSA-N
MDL Number	MFCD00671575
Molecular Formula	C9H12N4
Molecular Weight	176.2184
NSC Number	61541
SMILES	N#CCCN(CCC#N)CCC#N
Synonyms	Tris(2-cyanoethyl)amine, 7528-78-1, Propanenitrile, 3,3',3''-nitrilotris-, 3,3',3''-Nitrilotripropionitrile, 3,3',3''-Nitrilotripropanenitrile, Propionitrile, 3,3',3''-nitrilotri-, 3-[bis(2-cyanoethyl)amino]propanenitrile, 3,3,3-Nitrilotripropionitrile, FYYPYNRGACGNNN-UHFFFAOYSA-N, 3-(bis(2-cyanoethyl)amino)propanenitrile, tris(|A-cyanoethyl)amine, Tris(beta-cyanoethyl)amine, NSC61541, Nitrilotripropionitril, NSC 61541, ACMC-209oxr, AC1Q4SBA, AC1L32LL, SCHEMBL65032, Amine, tris(2-cyanoethyl)-, 3,3''-Nitrilotripropionitrile, 3,3,3-Nitrilotripropanenitrile, DTXSID7064732, CTK5E1373, FYYPYNRGACGNNN-UHFFFAOYSA-, Propionitrile,3',3''-nitrilotri-, KS-000014NQ, ANW-36589, MFCD00671575, NSC-61541, Propanenitrile,3',3''-nitrilotris-, ZINC31308671, AKOS015836378, Propanenitrile,3,3',3''-nitrilotris-, TRIS(2-CYANOETHYL)AMINE 99+%, TR-024231, Propionitrile, 3,3',3''-nitrilotri- (8CI), InChI=1/C9H12N4/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2, C9H12N4, CID82028, AR-1L7798, C9-H12-N4, T1577, 79084-83-6,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.106g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.223g/mol
Monoisotopic Mass	176.106g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(6.1)
Hazard statements	H301+H311+H331-H314
Packing Group	Ⅲ
Precautionary statements	P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P233-P405-P501
UN Code	UN 2923

Certificate of Analysis

Lot Number