Cas no 58096-22-3 (Bicyclo[3.1.1]heptane-3-methanamine,2,6,6-trimethyl-, hydrochloride, [1R-(1a,2b,3a,5a)]- (9CI))
![Bicyclo[3.1.1]heptane-3-methanamine,2,6,6-trimethyl-, hydrochloride, [1R-(1a,2b,3a,5a)]- (9CI) structure](https://ossimg.kuujia.com/scimg/58500/58096-22-3x500.png)
58096-22-3 structure
Product Name:Bicyclo[3.1.1]heptane-3-methanamine,2,6,6-trimethyl-, hydrochloride, [1R-(1a,2b,3a,5a)]- (9CI)
CAS No:58096-22-3
MF:C11H22ClN
MW:203.75208234787
CID:378064
PubChem ID:78358523
Update Time:2025-04-19
Bicyclo[3.1.1]heptane-3-methanamine,2,6,6-trimethyl-, hydrochloride, [1R-(1a,2b,3a,5a)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[3.1.1]heptane-3-methanamine,2,6,6-trimethyl-, hydrochloride, [1R-(1a,2b,3a,5a)]- (9CI)
- [1R-(1alpha,2beta,3alpha,5alpha)]-pinane-3-methylammonium chloride
- methyl-[(1R,4R,5R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]azanium,chloride
- (1R,2R,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-aminium chloride
- CHEMBL3735800
- (1R-(1alpha,2beta,3alpha,5alpha))-Pinane-3-methylammonium chloride
- 58096-22-3
- EINECS 261-114-6
-
- Inchi： 1S/C11H21N.ClH/c1-7-8(6-12)4-9-5-10(7)11(9,2)3;/h7-10H,4-6,12H2,1-3H3;1H/t7-,8-,9+,10+;/m0./s1
- InChI Key： WMWWUXCZAWKORS-YNESSHQRSA-N
- SMILES： Cl.NC[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C
Computed Properties
- Exact Mass: 203.144077
- Monoisotopic Mass: 203.144077
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 185
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 16.6
Experimental Properties
- Boiling Point: 199.4°Cat760mmHg
- Flash Point: 65.2°C
Bicyclo[3.1.1]heptane-3-methanamine,2,6,6-trimethyl-, hydrochloride, [1R-(1a,2b,3a,5a)]- (9CI) Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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