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| CAS No.: | 40851-65-8 |
|---|---|
| Name: | 2-Aminomethylphenylacetic acid |
| Article Data: | 13 |
| Cas Database | |
| Molecular Structure: | |
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|
|
| 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 |
| Appearance: | colorless crystals |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | R20/21/22 |
| PSA: | 63.32000 |
| LogP: | 1.47270 |
- 40851-66-9Benzeneacetic acid,2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
- 40851-91-0Pyridine,6-chloro-2-methoxy-3-nitro-
- 40851-95-42,3-Pyridinediamine,6-chloro-
- 40851-96-53H-Imidazo[4,5-b]pyridine,5-chloro-2-(trifluoromethyl)-
- 408531-38-44-Quinolinecarboxylicacid, 2-cyano-
- 4085-31-8Quinoline,4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis[7-chloro-
- 408533-46-04-Pyridinesulfonicacid, 2-methyl-
- 408537-42-8α-Acetamino-α-carboxy-(3-indole)-butyric Acid
- 40856-07-3Methanesulfonic acid,1,1-difluoro-
- 40856-44-8Benzenepropanoic acid, b-amino-, (bS)-
- 52786-77-3
sodium 2-(1-ethoxycarbonyl-1-propen-2-ylaminomethyl)phenylacetate
- 40851-65-8
2-Aminomethylphenylacetic acid
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With trifluoroacetic acid In diethyl ether at 20℃; | 78% |
- 170306-38-4
[2-(benzoylamino-methyl)-phenyl]-acetonitrile
- 40851-65-8
2-Aminomethylphenylacetic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 115℃; im Rohr; |
- 40851-64-7
2-(2-(azidomethyl)phenyl)acetic acid
- 40851-65-8
2-Aminomethylphenylacetic acid
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal |
- 38379-25-8
o-chloromethylbenzylamine
- 40851-65-8
2-Aminomethylphenylacetic acid
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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