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| CAS No.: | 3789-59-1 |
|---|---|
| Name: | (S)-(-)-1-Amino-1-phenylpropane |
| Molecular Structure: | |
|
|
|
| Formula: | C9H13N |
| Molecular Weight: | 135.209 |
| Synonyms: | [(1S)-1-Phenylpropyl]amine;(S)-a-Ethylbenzylamine;(S)-a-Phenylpropylamine;(S)-1-Phenylpropylamine;(S)-1-Phenylpropan-1-amine;(S)-(-)-1-Phenylpropylamine;(S)-(-)-a-Ethylbenzylamine;Benzenemethanamine,a-ethyl-, (S)-;Benzylamine, a-ethyl-, (S)-(-)- (8CI);Benzylamine, a-ethyl-,l- (4CI);(-)-((S)-1-Phenylpropyl)amine;(-)-1-Ethylbenzylamine;(-)-1-Phenylpropylamine;(1S)-1-Phenyl-1-propanamine;(1S)-1-Phenylpropan-1-amine;(S)-a-Ethylbenzenemethanamine; |
| EINECS: | -0 |
| Density: | 0.944 g/cm3 |
| Melting Point: | -69 °C |
| Boiling Point: | 203.9 °C at 760 mmHg |
| Flash Point: | 85.1 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2735 8/PG 2 |
| PSA: | 26.02000 |
| LogP: | 2.79670 |
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Chemistry
Systematic Name: 1-Phenylpropan-1-amine
Synonyms of (S)-(-)-1-Amino-1-phenylpropane (CAS NO.3789-59-1): (S)-(-)-1-Phenylpropylamine ; (S)-alpha-Ethylbenzylamine
CAS NO: 3789-59-1
Molecular Formula: C9H13N
Molecular Weight: 135.21
Molecular Structure: 
H bond acceptors: 1
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 3.24 Å2
Index of Refraction: 1.526
Molar Refractivity: 43.97 cm3
Molar Volume: 143.1 cm3
Surface Tension: 36.2 dyne/cm
Density: 0.944 g/cm3
Flash Point: 85.1 °C
Enthalpy of Vaporization: 44.01 kJ/mol
Boiling Point: 203.9 °C at 760 mmHg
Vapour Pressure: 0.272 mmHg at 25°C
Melting Point: -69°C
Alpha : -20 º (neat)
Sensitive: (S)-(-)-1-Amino-1-phenylpropane (CAS NO.3789-59-1) is air sensitive.
Product Categories: chiral;Chiral Reagent;Chiral Compound
SMILES: NC(c1ccccc1)CC
InChI: InChI=1/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3
InChIKey: AQFLVLHRZFLDDV-UHFFFAOYAX
Std. InChI: InChI=1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3 Std. InChIKey: AQFLVLHRZFLDDV-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
C
Risk Statements: 22-34
R22: Harmful if swallowed.
R34: (S)-(-)-1-Amino-1-phenylpropane (CAS NO.3789-59-1) causes burns.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2735 8/PG 2
WGK Germany: 3
F: 10-34
HazardClass: 8
PackingGroup: II