1-Amino-3-benzyloxy-2-propanol - CAS 90503-15-4

Catalog:	BB039872
Product Name:	1-Amino-3-benzyloxy-2-propanol
CAS:	90503-15-4
Synonyms:	1-amino-3-phenylmethoxy-2-propanol; 1-amino-3-phenylmethoxypropan-2-ol

Technical Data

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Computed Properties

IUPAC Name:	1-amino-3-phenylmethoxypropan-2-ol
Description:	1-Amino-3-benzyloxy-propan-2-ol can be used for its aldose reductase-inhibiting activity to treat diseases caused by insulin resistance.
Molecular Weight:	181.23
Molecular Formula:	C10H15NO2
Canonical SMILES:	C1=CC=C(C=C1)COCC(CN)O
InChI:	InChI=1S/C10H15NO2/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2
InChI Key:	ZGHLNQMMKJNJIH-UHFFFAOYSA-N
Boiling Point:	331.9 °C at 760 mmHg
Density:	1.11 g/cm³
Appearance:	White powder
MDL:	MFCD00183222
LogP:	1.22310

Publication Number	Title	Priority Date
WO-2021113492-A1	Cyclic compounds and methods of using same	20191206
WO-2021077010-A1	Bifunctional molecules containing an e3 ubiquitine ligase binding moiety linked to a bcl6 targeting moiety	20191017
US-10399957-B2	TLR7/8 antagonists and uses thereof	20151217
US-10544122-B2	TLR7/8 antagonists and uses thereof	20151217
US-10696649-B2	TLR7/8 antagonists and uses thereof	20151217

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	124
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:	5
Topological Polar Surface Area:	55.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0