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3-[(PYRIDIN-4-YLMETHYL)-AMINO]-BENZOICACID

3-[(PYRIDIN-4-YLMETHYL)-AMINO]-BENZOICACID structure

CAS No:
714213-01-1
Formula:
C13H12N2O2
Chemical Name:
3-[(PYRIDIN-4-YLMETHYL)-AMINO]-BENZOICACID
Synonyms:
ZERENEX E/6028624;3-[(PYRIDIN-4-YLMETHYL)-AMINO]-BENZOIC ACID;Benzoic acid, 3-[(4-pyridinylmethyl)amino]-

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3-[(PYRIDIN-4-YLMETHYL)-AMINO]-BENZOICACID Basic Attributes

Molecular Weight：

228.25

Exact Mass：

228.089877630 g/mol

Characteristics

PSA：

62.2 Å²

Density：

1.301±0.06 g/cm3

Boiling Point：

463.1±30.0 °C(Predicted)

PKA：

4.26±0.10

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:228.25
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:228.089877630
Monoisotopic Mass:228.089877630
Topological Polar Surface Area:62.2
Heavy Atom Count:17
Complexity:252
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(PYRIDIN-4-YLMETHYL)-AMINO]-BENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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