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4-(1H-Pyrazol-1-ylmethyl)aniline

4-(1H-Pyrazol-1-ylmethyl)aniline structure

CAS No:
142335-61-3
Formula:
C10H11N3
Chemical Name:
4-(1H-Pyrazol-1-ylmethyl)aniline
Synonyms:
TIMTEC-BB SBB009348;4-(1H-PYRAZOL-1-YLMETHYL)ANILINE;4-PYRAZOL-1-YLMETHYL-PHENYLAMINE;AKOS B014372;ART-CHEM-BB B014372;ART-CHEM-BB B016016;4-Pyrazol-1-ylmethylphenylamine95%;4-PYRAZOL-1-YLMETHYLPHENYLAMINE 95%
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-(1H-Pyrazol-1-ylmethyl)aniline Basic Attributes

Molecular Weight：

173.21

Exact Mass：

173.095297364

EC Number：

604-604-1

DSSTox ID：

DTXSID50377436

HScode：

2933199090

Characteristics

PSA：

43.84000

XLogP3：

2.09480

Density：

1.16±0.1 g/cm3

Melting Point：

67-69°C

Boiling Point：

363.6±25.0 °C(Predicted)

Flash Point：

173.7ºC

Refractive Index：

1.622

Vapor Pressure：

1.78E-05mmHg at 25°C

PKA：

4.53±0.10

Safety Information

Hazard category：

IRRITANT

hazard class code：

20/21/22-36/37/38

safety instructions：

22-26-36/37/39

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:173.21
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:173.095297364
Monoisotopic Mass:173.095297364
Topological Polar Surface Area:43.8
Heavy Atom Count:13
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1H-Pyrazol-1-ylmethyl)aniline

Basic Attributes
Characteristics
Safety Information
Computed Properties
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