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4-[Ethyl(phenylmethyl)amino]phenyl thiocyanate

4-[Ethyl(phenylmethyl)amino]phenyl thiocyanate structure

CAS No:
5335-85-3
Formula:
C16H16N2S
Chemical Name:
4-[Ethyl(phenylmethyl)amino]phenyl thiocyanate
Synonyms:
Thiocyanic acid,4-[ethyl(phenylmethyl)amino]phenyl ester;Benzylamine,N-ethyl-N-(p-thiocyanophenyl)-;4-[Ethyl(phenylmethyl)amino]phenyl thiocyanate;NSC 993

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4-[Ethyl(phenylmethyl)amino]phenyl thiocyanate Basic Attributes

Molecular Weight：

268.4 g/mol

Exact Mass：

268.38

NSC Number：

993

DSSTox ID：

DTXSID30277162

Characteristics

PSA：

52.3 Å²

Melting Point：

52-53 °C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:268.4
XLogP3:4.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:268.10341969
Monoisotopic Mass:268.10341969
Topological Polar Surface Area:52.3
Heavy Atom Count:19
Complexity:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[Ethyl(phenylmethyl)amino]phenyl thiocyanate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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