AG003I84

21539-47-9 | 3-(Ethylamino)propionitrile

AG003I84

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CAS Number	21539-47-9
Catalog Number	AG003I84(AGN-PC-0JOKVN)
Chemical Name	3-(Ethylamino)propionitrile
IUPAC Name	3-(ethylamino)propanenitrile
InChI	InChI=1S/C5H10N2/c1-2-7-5-3-4-6/h7H,2-3,5H2,1H3
InChI Key	RUVUQOOKKGVDNN-UHFFFAOYSA-N
MDL Number	MFCD00087227
Molecular Formula	C5H10N2
Molecular Weight	98.1463
NSC Number	66681
SMILES	CCNCCC#N
Synonyms	3-(Ethylamino)propanenitrile, 21539-47-9, 3-(Ethylamino)propionitrile, N-Ethyl-beta-alaninenitrile, Propanenitrile, 3-(ethylamino)-, Propionitrile, 3-(ethylamino)-, RUVUQOOKKGVDNN-UHFFFAOYSA-N, NSC66681, ACMC-20anin, AC1L6NGN, AC1Q4SDI, N-Ethyl-ss-alaninenitrile, 3-ethylamino propionitrile, 3-ethylamino-propionitrile, beta-ethylaminopropionitrile, AC1Q31LL, 3-(ethylamino)-propionitrile, 3-(Ethylamino);propanenitrile, 3-(Ethylamino)propanenitrile #, N-(2-Cyanoethyl)-N-ethylamine, CTK6F2432, DTXSID50290111, 3-(Ethylamino)propionitrile, 98%, ACT06304, ZINC1694008, 7314AD, GEO-01315, MFCD00087227, NSC-66681, SBB006528, AKOS002671285, NE24453, DB-032109, TR-050197, FT-0638125, EN300-37166, I05-3085, J-660064, F8881-0709, C5H10N2, AR-1E7692, CID248961, 24632-63-1,

Complexity	69.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	98.084g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	98.149g/mol
Monoisotopic Mass	98.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H312-H314-H332
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3267

Certificate of Analysis

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