AG00DFWV

54879-88-8 | Benzenemethanamine, N-​(2,​2-​dimethoxyethyl)​-

AG00DFWV

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CAS Number	54879-88-8
Catalog Number	AG00DFWV(AGN-PC-0JP2HH)
Chemical Name	Benzenemethanamine, N-​(2,​2-​dimethoxyethyl)​-
IUPAC Name	N-benzyl-2,2-dimethoxyethanamine
InChI	InChI=1S/C11H17NO2/c1-13-11(14-2)9-12-8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3
InChI Key	LODLUMZUJRFPLU-UHFFFAOYSA-N
MDL Number	MFCD00963826
Molecular Formula	C11H17NO2
Molecular Weight	195.2582
NSC Number	124714
SMILES	C(NCC(OC)OC)c1ccccc1
Synonyms	n-benzyl-2,2-dimethoxyethanamine, 54879-88-8, benzyl(2,2-dimethoxyethyl)amine, LODLUMZUJRFPLU-UHFFFAOYSA-N, Benzenemethanamine, N-(2,2-dimethoxyethyl)-, C11H17NO2, NSC124714, AC1L5K4R, AC1Q44GH, AC1Q55WY, 2,2-dimethoxyethylbenzylamine, SCHEMBL3168512, CTK6J3368, ZINC1714063, MFCD00963826, AKOS001945382, N-Benzyl-2,2-dimethoxyethan-1-amine, MCULE-7118563063, NE25741, NSC-124714, AJ-30831, AM806058, CS-0039120, EN300-43062, Z86134485, AR-1K6154, CID276572, 4018-87-5,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.126g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.262g/mol
Monoisotopic Mass	195.126g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	30.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number