tert-butyl N-(5-bromopentyl)carbamate
Basic information
- CAS
83948-54-3- Standard SMILES
CC(C)(C)OC(=O)NCCCCCBr- InChIKey
OHUJQWJCNMMZFM-UHFFFAOYSA-N- Molecular formula
- C10H20BrNO2
- Average molar mass
- 266.18 g/mol
- Monoisotopic mass
- 265.06774
Names & identifiers
- Preferred name
- tert-butyl N-(5-bromopentyl)carbamate
- IUPAC
- tert-butyl N-(5-bromopentyl)carbamate
- English name
- 5-(t-Boc-amino)-1-pentyl bromide
- Molecular formula
- C10H20BrNO2
- Molecular weight
- 266.18
Names & synonyms
Tert-butyl N-(5-bromopentyl)carbamateRefChem:896235886-267-183948-54-3tert-Butyl (5-bromopentyl)carbamate5-(t-Boc-amino)-1-pentyl Bromide5-(boc-amino)pentyl bromide5-(BOC-amino)-1-pentyl bromideN-Boc-5-bromo-1-pentanamineMFCD034255131,1-Dimethylethyl (5-bromopentyl)carbamate5-(tert-Butoxycarbonylamino)pentyl bromide
Show more names
ert-butyl (5-bromopentyl)carbamate
N-(5-Bromopentyl)carbamic Acid 1,1-Dimethylethyl EsterN-BOC-5-BROMOPENTYLAMINEN-(tert-Butoxycarbonyl)-1-bromopentan-5-ylamineorb3176331SCHEMBL1149061DTXSID10403467OHUJQWJCNMMZFM-UHFFFAOYSA-NCarbamic acid, N-(5-bromopentyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
83948-54-3- PubChem CID
- 4455360
- DTXSID
DTXSID10403467- EC Number
- 886-267-1
- Nikkaji
- J1.257.737K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 35 °C · approx. 35°C
- Boiling point
- 324 ℃ · 324℃
- Density
- 1.214 · 1.214
- Flash point
- 150 ℃ · 150℃
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform, Ethyl Acetate, Methanol
- form
- Solid
- pka
- 12.87 · 12.87±0.46(Predicted)
- color
- White Low melting
- InChI
- InChI=1S/C10H20BrNO2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8H2,1-3H3,(H,12,13)
- InChIKey
- OHUJQWJCNMMZFM-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NCCCCCBr
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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