N-Boc-D-alaninol - CAS 106391-86-0

Name: N-Boc-D-alaninol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001858
Product Name:	N-Boc-D-alaninol
CAS:	106391-86-0
Synonyms:	Boc-D-Ala-ol; N-tert-butoxycarbonyl-D-alaninol; (R)-2-(Boc-amino)-1-propanol; (R)-tert-butyl 1-hydroxypropan-2-ylcarbamate; (R)-(+)-2-(tert-Butoxycarbonylamino)-1-propanol; Carbamic acid, [(1R)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester; 2-Methyl-2-propanyl [(2R)-1-hydroxy-2-propanyl]carbamate

Technical Data

IUPAC Name:	tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
Description:	(R)-2-(Boc-amino)-1-propanol (CAS# 106391-86-0) is a useful research chemical.
Molecular Weight:	175.23
Molecular Formula:	C8H17NO3
Canonical SMILES:	CC(CO)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1
InChI Key:	PDAFIZPRSXHMCO-ZCFIWIBFSA-N
Boiling Point:	276.4±23.0°C (Predicted)
Melting Point:	58-61°C
Purity:	≥95%
Density:	1.025±0.06 g/cm3 (Predicted)
Appearance:	White Powder
Storage:	Store at -20°C
MDL:	MFCD00235912
LogP:	1.28280

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

Publication Number	Title	Priority Date
US-2020397797-A1	Heterocyclic compounds	20190606
WO-2020247504-A1	Heterocyclic compounds	20190606
WO-2020185755-A1	Tyk2 inhibitors and uses thereof	20190311
US-2020330458-A1	Pyrazine compounds and uses thereof	20180817
US-10898481-B2	Pyrazine compounds and uses thereof	20180817

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	175.12084340
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	175.12084340
Rotatable Bond Count:	4
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7