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4-(1H-PYRAZOL-1-YL)BENZYLAMINE

4-(1H-PYRAZOL-1-YL)BENZYLAMINE structure

CAS No:
368870-03-5
Formula:
C10H11N3
Chemical Name:
4-(1H-PYRAZOL-1-YL)BENZYLAMINE
Synonyms:
AKOS B014367;4-PYRAZOL-1-YL-BENZYLAMINE;4-(1-PYRAZOLYL)BENZYLAMINE;4-(1H-PYRAZOL-1-YL)BENZYLAMINE;ART-CHEM-BB B020480;ART-CHEM-BB B014367;BUTTPARK 98\50-46;CHEMBRDG-BB 4003287
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-(1H-PYRAZOL-1-YL)BENZYLAMINE Basic Attributes

Molecular Weight：

173.21

Exact Mass：

173.095297364

DSSTox ID：

DTXSID60380118

HScode：

2933199090

Characteristics

PSA：

43.84000

XLogP3：

2.03130

Density：

1.16±0.1 g/cm3

Melting Point：

94-95°C

Boiling Point：

307.1±25.0 °C(Predicted)

Flash Point：

139.6ºC

Refractive Index：

1.622

PKA：

8.89±0.10

Safety Information

Transport codes：

2735

hazard class code：

34-41-37/38

safety instructions：

26-36/37/39-39

Marks：

C,Xi

GHS Classification：

|Warning|H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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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CAS No.: 368870-03-5

Grade: Pharmaceutical Grade

Content: 99.9%

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Guide of 4-(1H-PYRAZOL-1-YL)BENZYLAMINE

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