2-Propanol, 1,3-dichloro-, 2-carbamate

HCID 68516CAS 587-01-9
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)OC(CCl)CCl
InChIKey
JMNCUXPHXKHBPY-UHFFFAOYSA-N
Molecular formula
C4H7Cl2NO2
Average molar mass
172.01 g/mol
Monoisotopic mass
170.9853839

Names & identifiers

Preferred name
2-Propanol, 1,3-dichloro-, 2-carbamate
IUPAC
1,3-dichloropropan-2-yl carbamate
English name
2-chloro-1-(chloromethyl)ethyl carbamate
Molecular formula
C4H7Cl2NO2
Molecular weight
172.01

Names & synonyms

2-Chloro-1-(chloromethyl)ethyl carbamate587-01-99VC26H4S45NSC-12126DTXSID402073942-Propanol, 1,3-dichloro-, 2-carbamateRefChem:1064227DTXCID40129885209-593-21,3-dichloropropan-2-yl carbamateNSC12126EINECS 209-593-2
Show more names
1-Chloromethyl-2-chloroethyl=carbamateCarbamic acid 2-chloro-1-(chloromethyl)ethyl ester
UNII-9VC26H4S45SCHEMBL14783931NSC 12126s6828FP45353[2-chloro-1-(chloromethyl)ethyl] carbamateNS00034001

Database identifiers

CAS
587-01-9
PubChem CID
68516
DTXSID
DTXSID40207394
UNII
9VC26H4S45
EC Number
209-593-2
Nikkaji
J95.625B

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
9

Physicochemical properties

FDA UNII
9 VC26H4S45 · 9VC26H4S45

Chemistry & industry

Upstream & downstream products

Suppliers1 total

陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]

Related reactions

7 records
New reaction record

Linked notes

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