Cas no 1206798-47-1 ((1R,3R)-3-(aminomethyl)cyclohexan-1-amine)
1206798-47-1 structure
Product Name:(1R,3R)-3-(aminomethyl)cyclohexan-1-amine
CAS No:1206798-47-1
MF:C7H16N2
MW:128.215341567993
CID:2617226
PubChem ID:52324611
Update Time:2025-04-21
(1R,3R)-3-(aminomethyl)cyclohexan-1-amine Chemical and Physical Properties
Names and Identifiers
-
- (1R,3R)-3-(aminomethyl)cyclohexan-1-amine
- 3-(Aminomethyl)cyclohexanamine
- rac-(1R,3R)-3-(aminomethyl)cyclohexan-1-amine
- SCHEMBL1577714
- AKOS015951011
- DTXSID90680471
- 1821803-54-6
- EN300-2502986
- 1206798-47-1
- DTXCID30631220
-
- Inchi: 1S/C7H16N2/c8-5-6-2-1-3-7(9)4-6/h6-7H,1-5,8-9H2/t6-,7-/m1/s1
- InChI Key: OEFAIWKFALHMEY-RNFRBKRXSA-N
- SMILES: N[C@@H]1CCC[C@@H](CN)C1
Computed Properties
- Exact Mass: 128.131348519Da
- Monoisotopic Mass: 128.131348519Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 83
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 52?2
(1R,3R)-3-(aminomethyl)cyclohexan-1-amine Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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