(R)-tert-butyl 1-cyanoethylcarbamate

HCID 5479028
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Basic information

CAS
100927-09-1
Standard SMILES
C[C@H](C#N)NC(=O)OC(C)(C)C
InChIKey
RPKPFOKNXKRFTD-ZCFIWIBFSA-N
Molecular formula
C8H14N2O2
Average molar mass
170.21 g/mol
Monoisotopic mass
170.10552769

Names & identifiers

Preferred name
(R)-tert-butyl 1-cyanoethylcarbamate
IUPAC
tert-butyl N-[(1R)-1-cyanoethyl]carbamate
English name
Carbamic acid, [(1R)-1-cyanoethyl]-, 1,1-dimethylethyl ester (9CI)
Molecular formula
C8H14N2O2
Molecular weight
170.21

Names & synonyms

100927-09-1(R)-tert-butyl 1-cyanoethylcarbamateDTXSID10420477RefChem:210950DTXCID00371323tert-butyl N-[(1R)-1-cyanoethyl]carbamateTERT-BUTYL (R)-(1-CYANOETHYL)CARBAMATE(R)-2-(Boc-amino)propanenitrileMFCD18633363Carbamic acid, [(1R)-1-cyanoethyl]-, 1,1-dimethylethyl ester (9CI)N-[(1R)-1-cyanoethyl]carbamic acid tert-butyl esterSCHEMBL2563210
Show more names
tert-butyl N-[(1R)-1-cyanoethyl]carbamate - [B81086]Carbamic acid, N-[(1R)-1-cyanoethyl]-, 1,1-dimethylethyl esterCarbamic acid, [(1R)-1-cyanoethyl]-, 1,1-dimethylethyl ester...(R)-(alpha-Cyano-alpha-methylmethyl)carbamic acid tert-butyl ester
tert-Butyl 1-cyanoethylcarbamate #tert-butyl (R)-1-cyanoethylcarbamatet-Butyl (R)-(1-cyanoethyl)carbamateAS-93115SY250042tert-Butyl [(1R)-1-cyanoethyl]carbamateEN300-3014037F815805

Database identifiers

CAS
100927-09-1
PubChem CID
5479028
DTXSID
DTXSID10420477
EC Number
171-866-6
Nikkaji
J2.421.231I

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
62.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Boiling point
277 ℃ · 277℃
Density
1.021 · 1.021
Flash point
121 ℃ · 121℃
pka
10.14 · 10.14±0.46(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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 CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P280-P305+P351+P338-P310

Chemistry & industry

Suppliers29 total

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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