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N-Methylanthranilic acid

N-Methylanthranilic acid structure

CAS No:
119-68-6
Formula:
C8H9NO2
Chemical Name:
N-Methylanthranilic acid
Synonyms:
Benzoic acid,2-(methylamino)-;Anthranilic acid,N-methyl-;2-(Methylamino)benzoic acid;N-Methyl-o-aminobenzoic acid;N-Methyl-2-aminobenzoic acid;N-Methylanthranilic acid;o-(Methylamino)benzoic acid;o-N-Methylaminobenzoic acid;NSC 3782;730910-17-5
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Solid

N-methylanthranilic acid is an aromatic amino acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is substituted by a methyl group. It has a role as a plant metabolite. It derives from an anthranilic acid. It is a conjugate acid of a N-methylanthranilate.

N-Methylanthranilic acid Basic Attributes

Molecular Weight：

151.163

Exact Mass：

151.16

EC Number：

204-343-9

UNII：

VPB2514IUJ

NSC Number：

3782

DSSTox ID：

DTXSID6059491

HScode：

2922499990

Characteristics

PSA：

49.33000

XLogP3：

2.47

Appearance：

Solid

Density：

1.307 g/cm³

Melting Point：

180.5 °C

Boiling Point：

80 °C @ Press: 0.01 Torr

Flash Point：

142.8±23.2 °C

Refractive Index：

1.623

Water Solubility：

0.2 mg/mL at 20 °C

Collision Cross Section：

125.9 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

RTECS Number：

CB3300000

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

N-Methylanthranilic acid Use and Manufacturing

Manufacturing Info：

Benzoic acid, 2-(methylamino)-: ACTIVE

Computed Properties

Molecular Weight:151.16
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:151.063328530
Monoisotopic Mass:151.063328530
Topological Polar Surface Area:49.3
Heavy Atom Count:11
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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