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25333-81-7

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Basic Information
CAS No.: 25333-81-7
Name: aspartic acid - (2R)-1-phenylpropan-2-amine (1:1)
Molecular Structure:
Molecular Structure of 25333-81-7 (aspartic acid - (2R)-1-phenylpropan-2-amine (1:1))
Formula: C13H20N2O4
Molecular Weight: 268.3089
Synonyms: 2-aminobutanedioic acid; (2R)-1-phenylpropan-2-amine;L-Aspartic acid, compd. with alpha-methylbenzeneethanamine (1:2);
Boiling Point: 201.5 °C at 760 mmHg
Flash Point: 87.4 °C
PSA: 126.64000
LogP: 1.84990
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Specification

The Amphetamine aspartate is an organic compound with the formula C13H20N2O4. The IUPAC name of this chemical is (2S)-2-aminobutanedioic acid; (2S)-1-phenylpropan-2-amine. With the CAS registry number 25333-81-7, it is also named as  L-Aspartic acid, compd. with alpha-methylbenzeneethanamine (1:2). It is a colorless, volatile liquid used as a central nervous system stimulant in the treatment of certain neurological conditions, such as attention deficit hyperactivity disorder and narcolepsy, and abused as a stimulant.

Physical properties about Amphetamine aspartate are: (1)ACD/LogP: 1.806; (2)ACD/LogD (pH 5.5): -1.28; (3)ACD/LogD (pH 7.4): -0.63; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Flash Point: 87.4 °C; (12)Enthalpy of Vaporization: 43.77 kJ/mol; (13)Boiling Point: 201.5 °C at 760 mmHg; (14)Vapour Pressure: 0.307 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)InChI=1S/C9H13N.C4H7NO4/c1-8(10)7-9-5-3-2-4-6-9;5-2(4(8)9)1-3(6)7/h2-6,8H,7,10H2,1H3;2H,1,5H2,(H,6,7)(H,8,9)/t;2-/m.0/s1;
(2)InChIKey=DYOBNLAYPQSBLB-WNQIDUERSA-N;
(3)Smilesc1(ccccc1)CC(C)N.[C@H](CC(=O)O)(C(=O)O)N;