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4-(4-Methylpiperazino)benzoicacid

4-(4-Methylpiperazino)benzoicacid structure

CAS No:
86620-62-4
Formula:
C12H16N2O2
Chemical Name:
4-(4-Methylpiperazino)benzoicacid
Synonyms:
TIMTEC-BB SBB007142;RARECHEM AL BE 1090;CHEMBRDG-BB 4142061;BUTTPARK 98\50-51;ART-CHEM-BB B022042;4-(4-Methylpiperazino)benzoic acid ,97%;4-(4-Methylpiperazinyl)benzoic Acid;AKOS BB-5319
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-(4-Methylpiperazino)benzoicacid Basic Attributes

Molecular Weight：

220.27

Exact Mass：

220.121177757 g/mol

EC Number：

630-102-6

DSSTox ID：

DTXSID20353060

Characteristics

PSA：

43.8 Å²

Density：

1.188±0.06 g/cm3

Melting Point：

270 °C

Boiling Point：

393.9±37.0 °C(Predicted)

PKA：

5.02±0.10

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:220.27
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:220.121177757
Monoisotopic Mass:220.121177757
Topological Polar Surface Area:43.8
Heavy Atom Count:16
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(4-Methylpiperazino)benzoicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties
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