AG000QAS

1201-91-8 | Benzaldehyde, 4-​[(2-​hydroxyethyl)​methylamino]​-

AG000QAS

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CAS Number	1201-91-8
Catalog Number	AG000QAS(AGN-PC-0KXDUE)
Chemical Name	Benzaldehyde, 4-​[(2-​hydroxyethyl)​methylamino]​-
IUPAC Name	4-[2-hydroxyethyl(methyl)amino]benzaldehyde
InChI	InChI=1S/C10H13NO2/c1-11(6-7-12)10-4-2-9(8-13)3-5-10/h2-5,8,12H,6-7H2,1H3
InChI Key	JOCUIVLSLBBESN-UHFFFAOYSA-N
MDL Number	MFCD00963547
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	N(CCO)(C)c1ccc(cc1)C=O
Synonyms	1201-91-8, N-Methyl-N-(2-hydroxyethyl)-4-aminobenzaldehyde, 4-((2-Hydroxyethyl)(methyl)amino)benzaldehyde, 4-[2-hydroxyethyl(methyl)amino]benzaldehyde, 4-(n-Methyl-n-hydroxyethyl)amino benzaldehyde, N-methyl-N-hydroxyethyl-4-amino benzaldehyde, 4-[(2-hydroxyethyl)(methyl)amino]benzaldehyde, AC1MU8AH, Benzaldehyde, 4-[(2-hydroxyethyl)methylamino]-, ACMC-1BS79, SCHEMBL62025, DTXSID20394271, JOCUIVLSLBBESN-UHFFFAOYSA-N, ZINC2571460, AC-609, ANW-64006, MFCD00963547, AKOS000120859, API0005070, VZ33362, AJ-41903, AN-15671, BBV-46884106, BC202489, BP-13057, I652, SC-46619, AX8017755, DB-041538, TC-152751, FT-0633475, ST24028707, 4-[Methyl-(2-hydroxyethyl)amino]benzaldehyde, 4-[N-2-hydroxyethyl-N-methylamino]benzaldehyde, 4-[N-(2-Hydroxyethyl)-N-methylamino]benzaldehyde, A804460, C-06548, 4-(N-METHYL-N-HYDROXYETHYL)AMINOBENZALDEHYDE, 4-[N-(2-hydroxyethyl)-N-methylamino] benzaldehyde, I01-6507, J-004275, N-Methyl-N-(2-hydroxyethyl)-4-aminobenzaldehyde, 96%, C10H13NO2, CID3614316, 4-(2-hydroxyethyl-methyl-amino)benzaldehyde,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

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