3-(Dimethylamino)phenyl N,N-dimethylcarbamate

HCID 44957
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Basic information

CAS
16088-19-0
Standard SMILES
CN(C)C(=O)Oc1cccc(N(C)C)c1
InChIKey
FWNHTEHWJKUVPG-UHFFFAOYSA-N
Molecular formula
C11H16N2O2
Average molar mass
208.26 g/mol
Monoisotopic mass
208.12117775

Overview

structure given in first source

Names & identifiers

Preferred name
3-(Dimethylamino)phenyl N,N-dimethylcarbamate
IUPAC
[3-(dimethylamino)phenyl] N,N-dimethylcarbamate
English name
3-dimethylaminophenyl dimethylcarbamate
Molecular formula
C11H16N2O2
Molecular weight
208.26

Names & synonyms

16088-19-0Norneostigmine3-(DIMETHYLAMINO)PHENYL N,N-DIMETHYLCARBAMATEM92REH8ZZP3-dimethylaminophenol dimethylcarbamateDTXSID40167020RefChem:166658DTXCID0089511240-240-53-(Dimethylamino)phenyl dimethylcarbamateNor Neostigmine[3-(dimethylamino)phenyl] N,N-dimethylcarbamate
Show more names
Neostigmine EP Impurity C (NorNeostigmine bromide Impurity CNeostigmine methylsulfate Intermediate 2Neostigmine EP Impurity C (Nor Neostigmine)
3-Dimethylaminophenyl dimethylcarbamateNeostigmine Bromide EP Impurity CCarbamic acid, N,N-dimethyl-, 3-(dimethylamino)phenyl esterNeostigmine EP Impurity CDimethylcarbamic Acid 3-(Dimethylamino)phenyl Ester; Dimethylcarbamic Acid m-(Dimethylamino)phenyl Ester; 3-(Dimethylamino)phenyl Dimethylcarbamate; Norneostigmine;EINECS 240-240-5MFCD09753086Carbamic acid,dimethyl-, 3-(dimethylamino)phenyl ester (9CI)

Database identifiers

CAS
16088-19-0
PubChem CID
44957
DTXSID
DTXSID40167020
UNII
M92REH8ZZP
EC Number
240-240-5
Nikkaji
J29.597C

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Boiling point
195 °C · 195 °C(Press: 20 Torr)
Density
1.102 · 1.102±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka
4.1 · 4.10±0.10(Predicted)
form
Oil to Low-Melting Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+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. 2 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS06
Hazard statements
H300-H310-H330
Precautionary statements
P260-P264-P280-P284-P301+P310-P302+P350

Chemistry & industry

Applications

UsesNor Neostigmine is a degradation product of Neostigmine (N390010) bromide. Neostigmine impurity.

Upstream & downstream products

Suppliers82 total

天津始加生物医药科技有限公司15022261580 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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