N-Carbobenzoxy-β-alaninol - CAS 34637-22-4
Catalog:
BB022214
Product Name:
N-Carbobenzoxy-β-alaninol
CAS:
34637-22-4
Synonyms:
Z-β-Ala-ol; Z-NH-(CH2)3-OH; 3-(Carbobenzoxyamino)-1-propanol; Benzyl (3-hydroxypropyl)carbamate; Benzyl N-(3-hydroxypropyl)carbamate; 3-(Cbz-amino)-1-propanol
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BB022214
100 g
$199
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IUPAC Name: benzyl N-(3-hydroxypropyl)carbamate
Description: N-Carbobenzoxy-β-alaninol (CAS# 34637-22-4) is a useful research chemical.
Molecular Weight: 209.24
Molecular Formula: C11H15NO3
Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCCCO
InChI: InChI=1S/C11H15NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H,12,14)
InChI Key: WXQCFKYWSKKNKY-UHFFFAOYSA-N
Boiling Point: 392.5 °C at 760 mmHg
Melting Point: 49-51 °C
Density: 1.152 g/cm3
Appearance: White to off-white powder or crystals
Storage: Store at 2-8 °C
MDL: MFCD01321351
LogP: 1.68610
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
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Complexity: 179
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 209.10519334
Formal Charge: 0
Heavy Atom Count: 15
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 2
Isotope Atom Count: 0
Monoisotopic Mass: 209.10519334
Rotatable Bond Count: 6
Topological Polar Surface Area: 58.6 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.1
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