Benzyl N-(3-hydroxypropyl)carbamate
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Basic information
- CAS
34637-22-4- 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 propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 58.6 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- UA5600000
- ridadr
- UN 2735 8/PG 2
- hs_code
- 2922.49.3700
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
69 records
Compound notes
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