N-Cbz-2-Amino-1,3-propanediol - CAS 71811-26-2

Catalog:	BB034482
Product Name:	N-Cbz-2-Amino-1,3-propanediol
CAS:	71811-26-2
Synonyms:	N-(1,3-dihydroxypropan-2-yl)carbamic acid (phenylmethyl) ester; benzyl N-(1,3-dihydroxypropan-2-yl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	benzyl N-(1,3-dihydroxypropan-2-yl)carbamate
Description:	N-Cbz-2-Amino-1,3-propanediol (CAS# 71811-26-2) is a useful research chemical.
Molecular Weight:	225.24
Molecular Formula:	C11H15NO4
Canonical SMILES:	C1=CC=C(C=C1)COC(=O)NC(CO)CO
InChI:	InChI=1S/C11H15NO4/c13-6-10(7-14)12-11(15)16-8-9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,12,15)
InChI Key:	QHLPPMZRYNQWML-UHFFFAOYSA-N
Boiling Point:	457.644 °C at 760 mmHg
Density:	1.255 g/cm³
LogP:	0.65690

Publication Number	Title	Priority Date
WO-2020126952-A1	Imidazopyrazine derivatives as antibacterial agents	20181217
WO-2020126953-A1	Novel imidazopyrazine derivatives as antibacterials	20181217
WO-2020126954-A1	Novel imidazopyrazine derivatives	20181217
WO-2020126956-A1	Imidazopyrazine derivatives as antibacterial agents	20181217
WO-2020127075-A1	Imidazopyrazine derivatives as antibacterials	20181217

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Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.10010796
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	225.10010796
Rotatable Bond Count:	6
Topological Polar Surface Area:	78.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1