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Benzeneacetonitrile, α-amino-, hydrochloride (1:1)

Benzeneacetonitrile, α-amino-, hydrochloride (1:1) structure

CAS No:
53641-60-4
Formula:
C8H8N2.ClH
Chemical Name:
Benzeneacetonitrile, α-amino-, hydrochloride (1:1)
Synonyms:
Benzeneacetonitrile,α-amino-,hydrochloride (1:1);Benzeneacetonitrile,α-amino-,monohydrochloride;Glycinonitrile,2-phenyl-,monohydrochloride;1-Phenylglycinonitrile hydrochloride;α-Aminophenylacetonitrile hydrochloride;2-Amino-2-phenylacetonitrile hydrochloride;[(Cyano)(phenyl)methyl]amine hydrochloride;2-Amino-2-phenylethanenitrile hydrochloride;53941-45-0

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Benzeneacetonitrile, α-amino-, hydrochloride (1:1) Basic Attributes

Molecular Weight：

168.62300

Exact Mass：

168.0454260 g/mol

EC Number：

258-680-1

HScode：

2926909090

Characteristics

PSA：

49.81000

XLogP3：

2.71228

Melting Point：

175-176 °C

Boiling Point：

235.8ºC at 760mmHg

Flash Point：

96.4ºC

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3439

hazard class code：

R36/38; R36/37/38; R20/21/22

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P261; P280; P305 + P351 + P338

Hazard Statements：

H302; H312; H315; H319; H332; H335

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|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:168.62
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:168.0454260
Monoisotopic Mass:168.0454260
Topological Polar Surface Area:49.8
Heavy Atom Count:11
Complexity:139
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Benzeneacetonitrile, α-amino-, hydrochloride (1:1)

Basic Attributes
Characteristics
Safety Information
Computed Properties
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