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4-Methoxy[1,1′-biphenyl]-3-amine

4-Methoxy[1,1′-biphenyl]-3-amine structure

CAS No:
39811-17-1
Formula:
C13H13NO
Chemical Name:
4-Methoxy[1,1′-biphenyl]-3-amine
Synonyms:
[1,1′-Biphenyl]-3-amine,4-methoxy-;4-Methoxy[1,1′-biphenyl]-3-amine;3-Amino-4-methoxybiphenyl;5-Phenyl-o-anisidine;5-Phenyl-2-anisidine;2-Methoxy-5-phenylaniline;(4-Methoxy-1,1′-biphenyl-3-yl)amine;4-Methoxybiphenyl-3-ylamine;4-Methoxybiphenyl-3-amine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Methoxy[1,1′-biphenyl]-3-amine Basic Attributes

Molecular Weight：

199.25

Exact Mass：

199.25

EC Number：

254-639-7

DSSTox ID：

DTXSID70192880

Characteristics

PSA：

35.25000

XLogP3：

3.52560

Appearance：

brown coarse powder

Density：

1.0671

Melting Point：

80-81 °C @ Solvent: Ethanol

Boiling Point：

336.78°C (rough estimate)

Flash Point：

159ºC

Refractive Index：

1.5500 (estimate)

PKA：

4.28±0.10

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39-24/25

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 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:199.25
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:199.099714038
Monoisotopic Mass:199.099714038
Topological Polar Surface Area:35.2
Heavy Atom Count:15
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Methoxy[1,1′-biphenyl]-3-amine

Basic Attributes
Characteristics
Safety Information
Computed Properties
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