3-Amino-3-(4-methoxyphenyl)-1-propanol - CAS 68208-24-2

Catalog:	BB033493
Product Name:	3-Amino-3-(4-methoxyphenyl)-1-propanol
CAS:	68208-24-2
Synonyms:	3-amino-3-(4-methoxyphenyl)-1-propanol; 3-amino-3-(4-methoxyphenyl)propan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	3-amino-3-(4-methoxyphenyl)propan-1-ol
Description:	3-Amino-3-(4-methoxyphenyl)-1-propanol (CAS# 68208-24-2) is a useful research chemical.
Molecular Weight:	181.23
Molecular Formula:	C10H15NO2
Canonical SMILES:	COC1=CC=C(C=C1)C(CCO)N
InChI:	InChI=1S/C10H15NO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-5,10,12H,6-7,11H2,1H3
InChI Key:	WHWMCHUIUINGOD-UHFFFAOYSA-N
Boiling Point:	334.2 °C at 760 mmHg
MDL:	MFCD01863268
LogP:	1.77770

Publication Number	Title	Priority Date
WO-2019219517-A1	Substituted dihydropyrazolo pyrazine carboxamide derivatives	20180517
AU-2019270142-A1	Substituted dihydropyrazolo pyrazine carboxamide derivatives	20180517
TW-202012408-A	Substituted dihydropyrazolopyridine carboxamide derivatives	20180517
BR-112020021612-A2	substituted dihydropyrazole pyrazine carboxamide derivatives	20180517
CN-112469412-A	Substituted dihydropyrazolopyrazine carboxamide derivatives	20180517

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.110278721
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	181.110278721
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5