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Cas Database |
| Name |
3-Aminobenzylamine |
EINECS | 412-230-2 |
| CAS No. | 4403-70-7 | Density | 1.093 g/cm3 |
| PSA | 52.04000 | LogP | 2.00900 |
| Solubility | N/A | Melting Point |
43 °C |
| Formula | C7H10N2 | Boiling Point | 267.6 °C at 760 mmHg |
| Molecular Weight | 122.17 | Flash Point | 136 °C |
| Transport Information | UN 3259 8/PG 3 | Appearance | Pale brown low melting solid |
| Safety | 26-36/37/39-61-45-22 | Risk Codes | 34-51/53-22 |
| Molecular Structure |
|
Hazard Symbols |
 N,  C
|
| Synonyms |
Toluene-a,3-diamine (7CI,8CI);3-(Aminomethyl)aniline;3-Aminobenzenemethanamine;3-Aminomethylphenylamine;m-Aminobenzylamine;AC1Q53VN;TL8003076; |
Article Data | 26 |
3-Aminobenzylamine Synthetic route
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In methanol | 100% |
| With C28H29Cl2CoNP2; hydrogen; sodium triethylborohydride In 1,4-dioxane at 80℃; under 37503.8 Torr; for 6h; | 75% |
| In methanol; palladium-carbon | 0.516 g (~100%) |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate at 20℃; for 0.0333333h; neat (no solvent, solid phase); | 95% |
| With borohydride exchange resin; nickel diacetate In methanol at 25℃; for 10h; | 82% |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; copper ferrite In water for 0.333333h; Reflux; Green chemistry; chemoselective reaction; | 92% |
| Conditions | Yield |
|---|---|
| Rh-C | 89.2% |
| With sodium hydroxide; hydrogen; toluene-4-sulfonic acid; Pt-C In 1,4-dioxane | 72.9% |
| Conditions | Yield |
|---|---|
| With hydrogen; Pd-C In acetic acid; ethyl acetate | 77% |
- 126799-84-6
1-azidomethyl-3-nitrobenzene
- 4403-70-7
m-aminobenzylamine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; indium In tetrahydrofuran at 20℃; for 5h; | 73% |
| Conditions | Yield |
|---|---|
| With pyridine; carbon palladium In methanol; ethyl acetate | 53% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin |
- 77147-14-9
2-(3-aminobenzyl)isoindoline-1,3-dione
- 4403-70-7
m-aminobenzylamine
| Conditions | Yield |
|---|---|
| With ethanol; hydrazine hydrate Erwaermen des Reaktionsprodukts mit wss.Salzsaeure; |
- 26177-43-5
3-nitrobenzylamine hydrochloride
- 4403-70-7
m-aminobenzylamine
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethanol for 1h; |
3-Aminobenzylamine Specification
The chemical with CAS registry number of 4403-70-7 is also known as 3-Aminobenzylamine. The IUPAC name is 3-(Aminomethyl)aniline. It belongs to product categories of Anilines, Aromatic Amines and Nitro Compounds; Amine; Amines. Its EINECS registry number is 412-230-2. In addition, the formula is C7H10N2 and the molecular weight is 122.17. This chemical is a pale brown low melting solid and should be sealed in ventilated and dry place without light.
Physical properties about 3-Aminobenzylamine are: (1)ACD/LogP: -0.19; (2)ACD/LogD (pH 5.5): -3.26; (3)ACD/LogD (pH 7.4): -2.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.614; (12)Molar Refractivity: 38.94 cm3; (13)Molar Volume: 111.7 cm3; (14)Surface Tension: 51.3 dyne/cm; (15)Density: 1.093 g/cm3; (16)Flash Point: 136 °C; (17)Enthalpy of Vaporization: 50.56 kJ/mol; (18)Boiling Point: 267.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0081 mmHg at 25 °C.
Preparation of 3-Aminobenzylamine: it is prepared by reaction of 3-nitro-benzaldehyde oxime. The reaction needs reagents borohydride exchange resin, Ni(OAc)2 and solvent methanol at the temperature of 25 °C for 10 hours. The yield is about 82%.
Uses of 3-Aminobenzylamine: it is used to produce (3-aminobenzyl)carbamic acid tert-butyl ester by reaction with di-tert-butyl dicarbonate. The reaction occurs with reagent dioxane and the yield is about 100%.
When you are using this chemical, please be cautious about it. As a chemical, it is harmful if swallowed and may cause burns. What's more, it is toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust and avoid release to the environment. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC(=C1)N)CN
2. InChI: InChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,8-9H2
3. InChIKey: ZDBWYUOUYNQZBM-UHFFFAOYSA-N
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