AG000MW4

1249321-20-7 | Ethanol, 2-[(cyclopropylmethyl)(phenylmethyl)amino]-

AG000MW4

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CAS Number	1249321-20-7
Catalog Number	AG000MW4(AGN-PC-0NU71J)
Chemical Name	Ethanol, 2-[(cyclopropylmethyl)(phenylmethyl)amino]-
IUPAC Name	2-[benzyl(cyclopropylmethyl)amino]ethanol
InChI	InChI=1S/C13H19NO/c15-9-8-14(11-13-6-7-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChI Key	PPSLXZJKVCPLHW-UHFFFAOYSA-N
MDL Number	MFCD16678898
Molecular Formula	C13H19NO
Molecular Weight	205.2961
SMILES	OCCN(CC1=CC=CC=C1)CC2CC2
Synonyms	2-[Benzyl(cyclopropylmethyl)amino]ethanol, 1249321-20-7, 2-(Benzyl(cyclopropylmethyl)amino)ethanol, 2-[(cyclopropylmethyl)(phenylmethyl)amino]Ethanol, KSC941O1P, CTK8E1717, 5397AJ, MFCD16678898, ZINC49835246, AKOS010969352, TRA0014189, KS-0000096Y, AS-31958, SY014167, AB0066738, AJ-111486, DB-062329, TC-306955, FT-0757220, MFCD16678898 (96%), K-1828, Ethanol, 2-[(cyclopropylmethyl)(phenylmethyl)amino]-, I01-10447, 2,4-Dichloro-6-picoline, C13H19NO, 42779-56-6, 1002-69-3,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.147g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.301g/mol
Monoisotopic Mass	205.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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