AG003I6N

96363-26-7 | tert-butyl (3-hydroxy-1-(4-methoxyphenyl)propyl)carbamate

AG003I6N

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CAS Number	96363-26-7
Catalog Number	AG003I6N(AGN-PC-0IGX89)
Chemical Name	tert-butyl (3-hydroxy-1-(4-methoxyphenyl)propyl)carbamate
IUPAC Name	tert-butyl N-[3-hydroxy-1-(4-methoxyphenyl)propyl]carbamate
InChI	InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-13(9-10-17)11-5-7-12(19-4)8-6-11/h5-8,13,17H,9-10H2,1-4H3,(H,16,18)
InChI Key	KIILCIAJJCYALF-UHFFFAOYSA-N
MDL Number	MFCD18907511
Molecular Formula	C15H23NO4
Molecular Weight	281.3474
SMILES	COC1=CC=C(C(NC(OC(C)(C)C)=O)CCO)C=C1
Synonyms	3-(Boc-amino)-3-(4-methoxyphenyl)-1-propanol, 96363-26-7, tert-Butyl (3-hydroxy-1-(4-methoxyphenyl)propyl)carbamate, SCHEMBL5706139, 5694AJ, KM3417, MFCD18907511, AKOS022184072, TRA0008340, AS-31994, SY019233, AB0066640, TC-307248, KS-00000976, MFCD18907511 (97+%), tert-butyl N-[3-hydroxy-1-(4-methoxyphenyl)propyl]carbamate, 2-Methyl-2-propanyl [3-hydroxy-1-(4-methoxyphenyl)propyl]carbamat e, C15H23NO4, 100-84-5, 3998-90-1,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.163g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	281.352g/mol
Monoisotopic Mass	281.163g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	67.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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