| CAS Number | 1245794-60-8 |
| Catalog Number | AG000MEH(AGN-PC-0WCJCJ) |
| Chemical Name | 3-Benzyl-3-azabicyclo[3.1.1]heptan-6-amine |
| IUPAC Name | 3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine |
| InChI | InChI=1S/C13H18N2/c14-13-11-6-12(13)9-15(8-11)7-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2 |
| InChI Key | PZBJODSAGVQRDZ-UHFFFAOYSA-N |
| MDL Number | MFCD19442702 |
| Molecular Formula | C13H18N2 |
| Molecular Weight | 202.2954 |
| SMILES | C(C1=CC=CC=C1)N1CC2C(C(C1)C2)N |
| Synonyms | 3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine,
1245794-60-8,
AC1Q4UBL,
SCHEMBL4090277,
MFCD19442702,
AKOS025290248,
SB20475,
KS-000007D2,
AK172430,
AS-34638,
CS-0051516,
EN300-89443,
3-Benzyl-3-azabicyclo[3.1.1]heptane-6-amine,
Q-4168,
3-Azabicyclo[3.1.1]heptan-6-amine, 3-(phenylmethyl)-,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.301g/mol |
| Monoisotopic Mass | 202.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number