AG00IHWS

94-31-5 | Benzaldehyde, 4-[(2-chloroethyl)methylamino]-

AG00IHWS

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CAS Number	94-31-5
Catalog Number	AG00IHWS(AGN-PC-0JL7D6)
Chemical Name	Benzaldehyde, 4-[(2-chloroethyl)methylamino]-
EC Number	202-321-3
IUPAC Name	4-[2-chloroethyl(methyl)amino]benzaldehyde
InChI	InChI=1S/C10H12ClNO/c1-12(7-6-11)10-4-2-9(8-13)3-5-10/h2-5,8H,6-7H2,1H3
InChI Key	IYFULQJDHJGQKQ-UHFFFAOYSA-N
MDL Number	MFCD00071777
Molecular Formula	C10H12ClNO
Molecular Weight	197.6614
SMILES	O=CC1=CC=C(N(CCCl)C)C=C1
Synonyms	4-((2-chloroethyl)methylamino)benzaldehyde, CEMAB, 94-31-5, 4-((2-CHLOROETHYL)(METHYL)AMINO)BENZALDEHYDE, 4-((2-Chloroethyl)methylamino)benzaldehyde, Benzaldehyde, 4-[(2-chloroethyl)methylamino]-, 4-[N-Methyl-N-(2-chloroethyl)]aminobenzaldehyde, 4-(N-Methyl-N-(beta-chloroethyl))aminobenzaldehyde, AK112162, 4-[2-chloroethyl(methyl)amino]benzaldehyde, p-[(2-chloroethyl)methylamino]benzaldehyde, Benzaldehyde, 4-((2-chloroethyl)methylamino)-, p-((2-Chloroethyl)methylamino)benzaldehyde, EINECS 202-321-3, AC1Q3USJ, SCHEMBL70784, AC1L262B, DTXSID6059100, CTK5H6385, KS-00000JS2, ZINC1848485, MFCD00071777, p-(chloroethylmethylamino)benzaldehyde, AKOS006274638, AJ-31997, AS-13549, CJ-30378, 4-(N-Chloroethyl-N-methyl)aminobenzaldehyde, 4-(n-methyl-n-chloroethyl)aminobenzaldehyde, 4-[(2-chloroethyl)methylamino]-benzaldehyd, n-methyl-n-chloroethyl-4-amino benzaldehyde, n-methyl-n-chloroethyl-p-amino benzaldehyde, FT-0631476, ST24023083, 4-[(2-Chloroethyl) Methylamino] Benzaldehyde, 094C315, 4-[N-(2-Chloroethyl)-N-methylamino]benzaldehyde, 4-[n-methyl-n-(2-chloroethyl)] amino benzaldehyde, 4-(N-Methyl-N-(-beta-chloroethyl))aminobenzaldehyde, Ethyl p-anisate, C10H12ClNO, p-Anisic Acid Ethyl Ester, C10-H12-Cl-N-O, 4-Methoxybenzoic Acid Ethyl Ester, CID66745, AR-1F5390, p-[(2-chlorethyl)methylamino]benzaldehyd, I653, 99838-21-8,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.061g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.662g/mol
Monoisotopic Mass	197.061g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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