Boc-L-alaninol - CAS 79069-13-9

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

Catalog:	BB036281
Product Name:	Boc-L-alaninol
CAS:	79069-13-9
Synonyms:	Boc-L-Ala-ol; N-Boc-L-alaninol; N-tert-Butoxycarbonyl-L-alaninol; tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate

Technical Data

IUPAC Name:	tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
Description:	Boc-L-alaninol (CAS# 79069-13-9) is a useful research chemical.
Molecular Weight:	175.20
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-/m0/s1
InChI Key:	PDAFIZPRSXHMCO-LURJTMIESA-N
Boiling Point:	276.4 °C at 760 mmHg
Melting Point:	53-58 °C
Purity:	≥ 99 % (GC)
Density:	1.025 g/cm³
Appearance:	Off-white or white powder
Storage:	Store at 2-8 °C
MDL:	MFCD00043121
LogP:	1.28280

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

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	175.1208434
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	175.1208434
Rotatable Bond Count:	4
Topological Polar Surface Area:	58.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7