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6-(DIMETHYLAMINO)NICOTINICACID

6-(DIMETHYLAMINO)NICOTINICACID structure

CAS No:
82846-28-4
Formula:
C8H10N2O2
Chemical Name:
6-(DIMETHYLAMINO)NICOTINICACID
Synonyms:
6-(DIMETHYLAMINO)NICOTINIC ACID;6-(N,N-DiMethylaMino)nicotinic acid;2-Dimethylaminopyridine-5-carboxylic acid;6-(DiMethylaMino)-3-pyridinecarboxylic acid;3-pyridinecarboxylic acid, 6-(dimethylamino)-;6-(dimethylamino)nicotinic acid(SALTDATA: 0.45H2O)
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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6-(DIMETHYLAMINO)NICOTINICACID Basic Attributes

Molecular Weight：

166.18

Exact Mass：

166.074234

UNII：

21E3K6C9ZU

NSC Number：

196545

DSSTox ID：

DTXSID90232030

HScode：

2933399090

Characteristics

PSA：

53.4

XLogP3：

1.14

Density：

1.2±0.1 g/cm3

Boiling Point：

338.1±27.0 °C at 760 mmHg

Flash Point：

158.3±23.7 °C

Refractive Index：

1.600

Safety Information

Hazard category：

IRRITANT

hazard class code：

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:166.18
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:166.074227566
Monoisotopic Mass:166.074227566
Topological Polar Surface Area:53.4
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(DIMETHYLAMINO)NICOTINICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties
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6-(DIMETHYLAMINO)NICOTINICACID

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