3-(Boc-amino)-2,2-dimethyl-1-propanol - CAS 184357-44-6

Catalog:	BB014125
Product Name:	3-(Boc-amino)-2,2-dimethyl-1-propanol
CAS:	184357-44-6
Synonyms:	N-(3-hydroxy-2,2-dimethylpropyl)carbamic acid tert-butyl ester; tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate

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Computed Properties

IUPAC Name:	tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
Description:	3-(Boc-amino)-2,2-dimethyl-1-propanol (CAS# 184357-44-6) is a useful research chemical.
Molecular Weight:	203.28
Molecular Formula:	C10H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)NCC(C)(C)CO
InChI:	InChI=1S/C10H21NO3/c1-9(2,3)14-8(13)11-6-10(4,5)7-12/h12H,6-7H2,1-5H3,(H,11,13)
InChI Key:	BHIGZYWRVWZUHG-UHFFFAOYSA-N
Boiling Point:	311 °C at 760 mmHg
Density:	0.998 g/cm³
LogP:	1.92050

Publication Number	Title	Priority Date
WO-2020117626-A1	4-amino or 4-alkoxy-substituted aryl sulfonamide compounds with selective activity in voltage-gated sodium channels	20181205
EP-3891157-A1	4-amino or 4-alkoxy-substituted aryl sulfonamide compounds with selective activity in voltage-gated sodium channels	20181205
WO-2019145360-A1	Novel compounds for the treatment of parasitic infections	20180124
EP-3743419-A1	Novel compounds for the treatment of parasitic infections	20180124
US-2021047299-A1	Novel compounds for the treatment of parasitic infections	20180124

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.15214353
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	203.15214353
Rotatable Bond Count:	5
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4