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99636-32-5

Basic Information
CAS No.: 99636-32-5
Name: (S)-(+)-1-METHOXY-2-PROPYLAMINE
Article Data: 5
Molecular Structure:
Molecular Structure of 99636-32-5 ((S)-(+)-1-METHOXY-2-PROPYLAMINE)
Formula: C4H11NO
Molecular Weight: 89.1374
Synonyms: (S)-1-METHOXY-2-AMINOPROPANE;(S)-(+)-1-METHOXY-2-PROPYLAMINE;(S)-2-Amino-1-methoxypropane;(S)-(+)-1-METHOXY-2-PROPYLAMINE: CHIPROS 98%, EE 96%;(S)-(+)-1-Methoxy-2-propylamine, ChiPros 98+%, ee 96+%;2-Propanamine, 1-methoxy-, (2S)-;(S)-1-Methoxypropan-2-aMine
EINECS: -0
Density: 0.849 g/cm3
Melting Point: -95°C
Boiling Point: 93.7 °C at 760 mmHg
Flash Point: 8.9 °C
Solubility: Fully miscible in water.
Hazard Symbols: R11:Highly flammable.; R22:Harmful if swallowed.; R35:Causes severe burns.;
Risk Codes: 11-22-35
Safety: 16-23-26-36/37/39-45
Transport Information: 2734
PSA: 35.25000
LogP: 0.68030
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Specification

This chemical is called (S)-2-Amino-1-methoxypropane, and its systematic name is (2S)-1-methoxypropan-2-amine. With the molecular formula of C4H11NO, its molecular weight is 89.14. The CAS registry number of this chemical is 99636-32-5, and its classification codes are TSCA Flag E [Subject to the Section 5(e) Consent Order of TSCA]; TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Other characteristics of the (S)-2-Amino-1-methoxypropane can be summarised as followings: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.21; (4)ACD/LogD (pH 7.4): -1.75; (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: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.406; (14)Molar Refractivity: 25.81 cm3; (15)Molar Volume: 104.9 cm3; (16)Polarizability: 10.23×10-24cm3; (17)Surface Tension: 26.1 dyne/cm; (18)Density: 0.849 g/cm3; (19)Flash Point: 8.9 °C; (20)Enthalpy of Vaporization: 33.35 kJ/mol; (21)Boiling Point: 93.7 °C at 760 mmHg; (22)Vapour Pressure: 48.9 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: The (S)-2-Amino-1-methoxypropane is highly flammable, so keep it far away from the sources of ignition. This chemical is harmful if swallowed, so do not breathe vapour. Please wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O(C[C@@H](N)C)C
2.InChI: InChI=1/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
3.InChIKey: NXMXETCTWNXSFG-BYPYZUCNBQ
4.Std. InChI: InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
5.Std. InChIKey: NXMXETCTWNXSFG-BYPYZUCNSA-N