CAS No.137731-41-0,1-N-BOC-1,2-TRANS-CYCLOHEXYLDIAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	137731-41-0
Name:	1-N-BOC-1,2-TRANS-CYCLOHEXYLDIAMINE

Formula:	C₁₁H₂₂N₂O₂
Molecular Weight:	214.30
Synonyms:	Carbamicacid, (2-aminocyclohexyl)-, 1,1-dimethylethyl ester, trans-;Carbamic acid,[(1R,2R)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester, rel- (9CI);trans-(2-Aminocyclohexyl)carbamic acid tert-butyl ester;trans-1-Amino-2-((tert-butoxycarbonyl)amino)cyclohexane;
Density:	1.02 g/cm³
Boiling Point:	322.1 °C at 760 mmHg
Flash Point:	148.6 °C
Hazard Symbols:	C
Risk Codes:	36/37/38-34
Safety:	26-36/37/39-45
Transport Information:	UN 3259
PSA:	64.35000
LogP:	2.87220

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Specification

The (1R,2R)-Boc-1,2-diaminocyclohexane, with the CAS registry number 137731-41-0, is also known as 2-Methyl-2-propanyl [(1R,2R)-2-aminocyclohexyl]carbamate. This chemical's molecular formula is C₁₁H₂₂N₂O₂ and molecular weight is 214.30. What's more, both its IUPAC name and systematic name are the same which is called tert-Butyl N-[(1R,2R)-2-aminocyclohexyl]carbamate.

Physical properties about this chemical are: (1) ACD/LogP: 1.66; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.38; (4) ACD/LogD (pH 7.4): -0.34; (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): 1.92; (9) #H bond acceptors: 4; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 32.78 Å²; (13) Index of Refraction: 1.488; (14) Molar Refractivity: 60.02 cm³; (15) Molar Volume: 208.2 cm³; (16) Surface Tension: 37.9 dyne/cm; (17) Density: 1.02 g/cm³; (18) Flash Point: 148.6 °C; (19) Enthalpy of Vaporization: 56.39 kJ/mol; (20) Boiling Point: 322.1 °C at 760 mmHg; (21) Vapour Pressure: 0.000286 mmHg at 25 °C.

When you are dealing with (1R,2R)-Boc-1,2-diaminocyclohexane, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may destroy living tissue on contact. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@@H]1CCCC[C@H]1N
(2) InChI: InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m1/s1
(3) InChIKey: AKVIZYGPJIWKOS-RKDXNWHRBA