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Cas Database |
| Name |
3-(Benzylamino)propylamine |
EINECS | 237-680-5 |
| CAS No. | 13910-48-0 | Density | 0.979 g/cm3 |
| PSA | 38.05000 | LogP | 2.21620 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H16N2 | Boiling Point | 274.2 ºC at 760 mmHg |
| Molecular Weight | 164.25 | Flash Point | 138.5 ºC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
1,3-Propanediamine,N-(phenylmethyl)- (9CI);1,3-Propanediamine, N-benzyl- (7CI,8CI);Benzylamine,N-(3-aminopropyl)- (6CI);1-Benzylamino-3-aminopropane;3-(Benzylamino)propanamine;3-(Benzylamino)propylamine;N-(3-Aminopropyl)benzylamine;N-(Phenylmethyl)-1,3-propanediamine;N-Benzyl-1,3-diaminopropane;N-Benzyl-1,3-propanediamine;N-Benzyl-1,3-propylenediamine;N-Benzylpropylenediamine;N-Benzyltrimethylenediamine; |
Article Data | 16 |
3-(Benzylamino)propylamine Specification
The IUPAC name of 3-(Benzylamino)propylamine is N'-Benzylpropane-1,3-diamine. With the CAS registry number 13910-48-0, it is also named as N-Benzylpropane-1,3-diamine. The product's category is Polyamines. In addition, its molecular formula is C10H16N2 and its molecular weight is 164.25.
The other characteristics of 3-(Benzylamino)propylamine can be summarized as: (1)EINECS: 237-680-5; (2)ACD/LogP: 1.16; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -2.93; (5)ACD/LogD (pH 7.4): -2.24; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 2; (11)H bond donors: 3; (12)Freely Rotating Bonds: 6; (13)Polar Surface Area: 6.48 Å2; (14)Index of Refraction: 1.534; (15)Molar Refractivity: 52.19 cm3; (16)Molar Volume: 167.7 cm3; (17)Polarizability: 20.69×10-24cm3; (18)Surface Tension: 39.4 dyne/cm; (19)Density: 0.979 g/cm3; (20)Flash Point: 138.5 °C; (21)Enthalpy of Vaporization: 51.26 kJ/mol; (22)Boiling Point: 274.2 °C at 760 mmHg; (23)Vapour Pressure: 0.00548 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
(1)SMILES:N(CCCN)Cc1ccccc1
(2)InChI:InChI=1/C10H16N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9,11H2
(3)InChIKey:RFLHDXQRFPJPRR-UHFFFAOYAS
(4)Std. InChI:InChI=1S/C10H16N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9,11H2
(5)Std. InChIKey:RFLHDXQRFPJPRR-UHFFFAOYSA-N
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