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89226-12-0

Basic Information
CAS No.: 89226-12-0
Name: L-TERT-LEUCINE METHYLAMIDE
Article Data: 11
Molecular Structure:
Molecular Structure of 89226-12-0 (L-TERT-LEUCINE METHYLAMIDE)
Formula: C7H16N2O
Molecular Weight: 144.217
Synonyms: Butanamide,2-amino-N,3,3-trimethyl-, (S)-;(S)-2-Amino-N-methyl-3,3-dimethylbutanamide;L-tert-Leucine methylamide;L-tert-Leucine-N-methylamide;S-tert-LeucineN-methylamide;
Density: 0.935 g/cm3
Boiling Point: 266.8 °C at 760 mmHg
Flash Point: 115.2 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 55.12000
LogP: 1.19700
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Specification

The Butanamide,2-amino-N,3,3-trimethyl-, (2S)-, with the CAS registry number 89226-12-0, is also known as (2S)-2-Amino-N,3,3-trimethylbutanamide. This chemical's molecular formula is C7H16N2O and molecular weight is 144.21. What's more, its systematic name is called N,3-Dimethyl-L-valinamide.

Physical properties about Butanamide,2-amino-N,3,3-trimethyl-, (2S)- are: (1) ACD/LogP: -0.22; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 5.64; (7) #H bond acceptors: 3; (8) #H bond donors: 3; (9) #Freely Rotating Bonds: 3; (10) Polar Surface Area: 23.55 Å2; (11) Index of Refraction: 1.451; (12) Molar Refractivity: 41.56 cm3; (13) Molar Volume: 154.1 cm3; (14) Surface Tension: 31.5 dyne/cm; (15) Density: 0.935 g/cm3; (16) Flash Point: 115.2 °C; (17) Enthalpy of Vaporization: 50.48 kJ/mol; (18) Boiling Point: 266.8 °C at 760 mmHg; (19) Vapour Pressure: 0.00846 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC)[C@@H](N)C(C)(C)C
(2) InChI: InChI=1/C7H16N2O/c1-7(2,3)5(8)6(10)9-4/h5H,8H2,1-4H3,(H,9,10)/t5-/m1/s1
(3) InChIKey: BPKJNEIOHOEWLO-RXMQYKEDBT