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40851-65-8

Basic Information
CAS No.: 40851-65-8
Name: Benzeneacetic acid,2-(αminomethyl)-
Article Data: 13
Cas Database
Molecular Structure:
Molecular Structure of 40851-65-8 (Benzeneacetic acid,2-(αminomethyl)-)
Formula: C9H11NO2
Molecular Weight: 165.192
Synonyms: Aceticacid, (α-amino-o-tolyl)- (6CI);o-(Aminomethyl)phenylacetic acid;TL8002967;[2-(Aminomethyl)phenyl]acetic Acid;
EINECS: 255-110-3
Density: 1.206 g/cm3
Melting Point: 239-240°C(lit.)
Boiling Point: 328 °C at 760 mmHg
Flash Point: 152.2 °C
Solubility: N/A
Appearance: colorless crystals
Hazard Symbols: Xn
Risk Codes: R20/21/22
Safety:
Transport Information: N/A
PSA: 63.32000
LogP: 1.47270
Synthetic route
52786-77-3

sodium 2-(1-ethoxycarbonyl-1-propen-2-ylaminomethyl)phenylacetate

40851-65-8

2-Aminomethylphenylacetic acid

Conditions
ConditionsYield
With hydrogenchloride In water pH=2; Cooling with ice;79%
40851-66-9

2-(tert-butoxycarbonylaminomethyl)phenylacetic acid

40851-65-8

2-Aminomethylphenylacetic acid

Conditions
ConditionsYield
With trifluoroacetic acid In diethyl ether at 20℃;78%
170306-38-4

[2-(benzoylamino-methyl)-phenyl]-acetonitrile

40851-65-8

2-Aminomethylphenylacetic acid

Conditions
ConditionsYield
With hydrogenchloride at 115℃; im Rohr;
40851-64-7

2-(2-(azidomethyl)phenyl)acetic acid

40851-65-8

2-Aminomethylphenylacetic acid

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal
38379-25-8

o-chloromethylbenzylamine

40851-65-8

2-Aminomethylphenylacetic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: NaOH-solution / unter Kuehlung
2: diluted alcohol
3: concentrated hydrochloric acid / 115 °C / im Rohr
View Scheme
28837-90-3

N-(2-chloromethyl-benzyl)-benzamide

40851-65-8

2-Aminomethylphenylacetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: diluted alcohol
2: concentrated hydrochloric acid / 115 °C / im Rohr
View Scheme
861338-62-7

bis-(2-ethoxymethyl-benzyl)-amine

40851-65-8

2-Aminomethylphenylacetic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: alcohol; hydrogen chloride
2: NaOH-solution / unter Kuehlung
3: diluted alcohol
4: concentrated hydrochloric acid / 115 °C / im Rohr
View Scheme
Multi-step reaction with 4 steps
2: NaOH-solution / unter Kuehlung
3: diluted alcohol
4: concentrated hydrochloric acid / 115 °C / im Rohr
View Scheme
40851-65-8

2-Aminomethylphenylacetic acid

2-[2-(aminomethyl)cyclohexyl]acetic acid

Conditions
ConditionsYield
With 5wt.% Rh on activated alumina; hydrogen In water at 100℃; under 13501.4 Torr; for 24h; Autoclave;92%
24424-99-5

di-tert-butyl dicarbonate

40851-65-8

2-Aminomethylphenylacetic acid

40851-66-9

2-(tert-butoxycarbonylaminomethyl)phenylacetic acid

Conditions
ConditionsYield
With water In 1,4-dioxane at 0 - 20℃; for 3.16667h;88.1%
40851-65-8

2-Aminomethylphenylacetic acid

141-97-9

ethyl acetoacetate

52786-77-3

sodium 2-(1-ethoxycarbonyl-1-propen-2-ylaminomethyl)phenylacetate

Conditions
ConditionsYield
With sodium In ethanol Reflux;82.3%
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Specification

The Benzeneacetic acid,2-(aminomethyl)-, with the CAS registry number 40851-65-8, is also known as 2-Aminomethylphenylacetic acid. It belongs to the product categories of Pharmacetical; Organic acids; Intermediate of ceforanide. Its EINECS number is 255-110-3. This chemical's molecular formula is C9H11NO2 and formula weight is 165.19. What's more, its IUPAC name is 2-[2-(aminomethyl)phenyl]acetic acid.

Physical properties of Benzeneacetic acid,2-(aminomethyl)- are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.97; (4)ACD/LogD (pH 7.4): -1.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 45.81 cm3; (15)Molar Volume: 136.8 cm3; (16)Surface Tension: 54.2 dyne/cm; (17)Density: 1.206 g/cm3; (18)Flash Point: 152.2 °C; (19)Enthalpy of Vaporization: 60.21 kJ/mol; (20)Boiling Point: 328 °C at 760 mmHg; (21)Vapour Pressure: 7.86E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)CC(=O)O)CN
(2)InChI: InChI=1S/C9H11NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
(3)InChIKey: VLOIVYPDUSVCLZ-UHFFFAOYSA-N