Benzyl N-(3-hydroxypropyl)carbamate

HCID 562256CAS 34637-22-4

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(NCCCO)OCc1ccccc1
InChIKey: WXQCFKYWSKKNKY-UHFFFAOYSA-N
Molecular formula: C11H15NO3
Average molar mass: 209.24 g/mol
Monoisotopic mass: 209.10519334

Names & identifiers

Preferred name: Benzyl N-(3-hydroxypropyl)carbamate
IUPAC: benzyl N-(3-hydroxypropyl)carbamate
English name: Benzyl N-(3-hydroxypropyl)carbamate
Molecular formula: C11H15NO3
Molecular weight: 209.24

Names & synonyms

34637-22-4Benzyl N-(3-hydroxypropyl)carbamateDTXSID60340176RefChem:328681DTXCID80291257629-128-0Benzyl (3-hydroxypropyl)carbamate3-(Carbobenzoxyamino)-1-propanol3-(Cbz-amino)-1-propanolMFCD01321351Benzyl 3-hydroxypropylcarbamateN-(3-Hydroxypropyl)carbamic Acid Benzyl Ester

Show more names

Z-NH-(CH2)3-OH3-(Z-AMINO)-1-PROPANOLN-Carbobenzoxy-β-alaninolN-CARBOBENZOXY-BETA-ALANINOLN-CARBOBENZOXY-3-AMINO-1-PROPANOL

3-(Benzyloxycarbonylamino)-1-propanolN-Cbz-3-amino-1-propanolC19323-(benzyloxycarbonylamino)propanolbenzyl N-(3-hydroxypropyl)-carbamateAS-102493-(Z-Amino)propanolZ-beta-Ala-ol

Database identifiers

CAS: 34637-22-4
PubChem CID: 562256
DTXSID: DTXSID60340176
EC Number: 629-128-0
Nikkaji: J405.766J

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 179

Physicochemical properties

Melting point: 50 · 50-53 °C(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
solubility: very slightly in Methanol
form: powder to crystal
color: White to Almost white
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)
InChIKey: WXQCFKYWSKKNKY-UHFFFAOYSA-N
SMILES: C(OCC1=CC=CC=C1)(=O)NCCCO
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: C,Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-45-36
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
RTECS: 5600000 · UA5600000
HS Code: 2922.49 · 2922.49.3700
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.