Cas no 215120-70-0 (tert-butyl 4-(aminomethyl)cyclohexanecarboxylate)
215120-70-0 structure
Product Name:tert-butyl 4-(aminomethyl)cyclohexanecarboxylate
CAS No:215120-70-0
MF:C12H23NO2
MW:213.316523790359
CID:2117469
PubChem ID:23444208
Update Time:2025-04-21
tert-butyl 4-(aminomethyl)cyclohexanecarboxylate Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl 4-(aminomethyl)cyclohexanecarboxylate
- 4-Aminomethyl-cyclohexanecarboxylic acid tert-butyl ester
- tert-butyl4-(aminomethyl)cyclohexanecarboxylate
- AKOS018080513
- DTXSID401205271
- 215120-70-0
- 1,1-dimethylethyl 4-(aminomethyl)cyclohexanecarboxylate
- SCHEMBL6774358
- SCHEMBL5540803
- 1,1-Dimethylethyl trans-4-(aminomethyl)cyclohexanecarboxylate
- EN300-963252
- DTXSID301182230
- DA-43259
- tert-butyl 4-(aminomethyl)cyclohexane-1-carboxylate
- tert-butyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate
-
- Inchi： 1S/C12H23NO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h9-10H,4-8,13H2,1-3H3
- InChI Key： IVWIMGAJPJCWHY-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C(C1CCC(CN)CC1)=O
Computed Properties
- Exact Mass: 213.172878976Da
- Monoisotopic Mass: 213.172878976Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 52.3?2
tert-butyl 4-(aminomethyl)cyclohexanecarboxylate 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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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