Cas no 16948-17-7 (N-cyclohexylcyclohexanamine;(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid)
16948-17-7 structure
Product Name:N-cyclohexylcyclohexanamine;(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid
CAS No:16948-17-7
MF:C20H38N2O4
MW:370.52672624588
CID:1356310
PubChem ID:44146705
Update Time:2025-04-20
N-cyclohexylcyclohexanamine;(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid Chemical and Physical Properties
Names and Identifiers
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- N-((tert-Butoxy)carbonyl)-L-alanine, compound with dicyclohexylamine (1:1)
- (2S)-2-(tert-butoxycarbonylamino)propanoic acid
- N-cyclohexylcyclohexanamine
- N-cyclohexylcyclohexanamine,(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- Boc-Ala-OH*DCHA
- dicyclohexylammonium Boc-L-alaninate
- EINECS 241-019-6
- DTXSID70937637
- N-[tert-Butoxy(hydroxy)methylidene]alanine--N-cyclohexylcyclohexanamine (1/1)
- NS00086683
- 16948-17-7
- N-cyclohexylcyclohexanamine;(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid
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- Inchi: 1S/C12H23N.C8H15NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(6(10)11)9-7(12)13-8(2,3)4/h11-13H,1-10H2;5H,1-4H3,(H,9,12)(H,10,11)/t;5-/m.0/s1
- InChI Key: KTGJIYLTQWUHFQ-ZSCHJXSPSA-N
- SMILES: O(C(N[C@H](C(=O)O)C)=O)C(C)(C)C.N(C1CCCCC1)C1CCCCC1
Computed Properties
- Exact Mass: 370.28300
- Monoisotopic Mass: 370.283
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 323
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 87.7A^2
Experimental Properties
- Boiling Point: 521.7°C at 760 mmHg
- Flash Point: 269.3°C
- PSA: 91.15000
- LogP: 4.82090
N-cyclohexylcyclohexanamine;(2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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