AG00C1C6

22490-86-4 | 3-AMINO-3-(3-METHOXY-PHENYL)-PROPAN-1-OL

AG00C1C6

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CAS Number	22490-86-4
Catalog Number	AG00C1C6(AGN-PC-05CJF4)
Chemical Name	3-AMINO-3-(3-METHOXY-PHENYL)-PROPAN-1-OL
IUPAC Name	3-amino-3-(3-methoxyphenyl)propan-1-ol
InChI	InChI=1S/C10H15NO2/c1-13-9-4-2-3-8(7-9)10(11)5-6-12/h2-4,7,10,12H,5-6,11H2,1H3
InChI Key	LZAZWHZPRDEQQK-UHFFFAOYSA-N
MDL Number	MFCD03412652
Molecular Formula	C10H15NO2
Molecular Weight	181.2316
SMILES	OCCC(N)C1=CC=CC(OC)=C1
Synonyms	3-amino-3-(3-methoxyphenyl)propan-1-ol, 22490-86-4, 3-AMINO-3-(3-METHOXY-PHENYL)-PROPAN-1-OL, (3S)-3-amino-3-(3-methoxyphenyl)propan-1-ol, AK158829, (3R)-3-amino-3-(3-methoxyphenyl)propan-1-ol, 1213379-44-2, 1213851-70-7, SCHEMBL382558, CTK8A3589, LZAZWHZPRDEQQK-UHFFFAOYSA-N, 7683AD, MFCD03412652, AKOS000303043, AKOS016051605, DS-9394, MCULE-7793071138, BBV-34216985, AX8266171, ST2404876, TR-055769, C10H15NO2,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.11g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	181.235g/mol
Monoisotopic Mass	181.11g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number