AG00380E

1075-76-9 | 3-Anilinopropionitrile

AG00380E

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CAS Number	1075-76-9
Catalog Number	AG00380E(AGN-PC-0JKBJW)
Chemical Name	3-Anilinopropionitrile
EC Number	214-057-6
IUPAC Name	3-anilinopropanenitrile
InChI	InChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2
InChI Key	FENJKTQEFUPECW-UHFFFAOYSA-N
MDL Number	MFCD00001953
Molecular Formula	C9H10N2
Molecular Weight	146.1891
NSC Number	80663
SMILES	N#CCCNc1ccccc1
UNII	S4YM38H4U6
Synonyms	3-Anilinopropionitrile, 1075-76-9, 3-(phenylamino)propanenitrile, N-(2-Cyanoethyl)aniline, Propanenitrile, 3-(phenylamino)-, 3-Anilinopropanenitrile, beta-Anilinopropionitrile, 2-Phenylaminopropionitrile, N-(Cyanoethyl)aniline, PROPIONITRILE, 3-ANILINO-, Propanenitrile, 3-anilino-, N-Cyanoethyl aniline, beta-Anilinopropanenitrile, NSC 80663, EINECS 214-057-6, .beta.-Anilinopropionitrile, 3-Phenylamino-propionitrile, .beta.-Anilinopropanenitrile, BRN 0509166, UNII-S4YM38H4U6, N-(.beta.-Cyanoethyl)aniline, AI3-52560, S4YM38H4U6, FENJKTQEFUPECW-UHFFFAOYSA-N, NSC80663, PubChem2335, 3-anilino-propionitrile, beta-anilino-propionitrile, 3-Anilinopropanenitrile #, N-(2-cyanoethyl)-aniline, (.beta.-Cyanoethyl)aniline, AC1Q4SD3, Aniline, N-beta-cyanoethyl-, 4-12-00-00890 (Beilstein Handbook Reference), KSC492Q5P, SCHEMBL141474, ACMC-2098x1, N-2-CYANOETHYL ANILINE, AC1L234H, Jsp000678, DTXSID8051548, CTK3J2857, FENJKTQEFUPECW-UHFFFAOYSA-, HMS1763A07, ANW-15827, CCG-40368, MFCD00001953, NSC-80663, SBB004106, STL168027, ZINC12376742, AKOS000120128, FS-4311, MCULE-8791613181, RTR-001838, VZ36528, NCGC00329303-01, AN-48448, CJ-14016, L484, SC-00279, DB-059647, LS-124901, TR-001838, A0477, BB 0259254, FT-0615080, ST50824031, EN300-17310, KS-00001298, Z-1753, AB00443508-05, S01-0590, W-108743, Z56915949, F0001-0155, InChI=1/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2, C9H10N2, CID14100, C9-H10-N2, A2093, 3-Anilinopropionitrile, 98% - 100G 100g,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.084g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.193g/mol
Monoisotopic Mass	146.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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