2-(Boc-amino)benzylamine - CAS 849020-94-6
Catalog: |
BB037355 |
Product Name: |
2-(Boc-amino)benzylamine |
CAS: |
849020-94-6 |
Synonyms: |
tert-butyl N-[2-(aminomethyl)phenyl]carbamate |
IUPAC Name: | tert-butyl N-[2-(aminomethyl)phenyl]carbamate |
Description: | 2-(Boc-amino)benzylamine (CAS# 849020-94-6) is a useful research chemical. |
Molecular Weight: | 222.28 |
Molecular Formula: | C12H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=CC=C1CN |
InChI: | InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-10-7-5-4-6-9(10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15) |
InChI Key: | BFFRNSYPZZUZDR-UHFFFAOYSA-N |
Boiling Point: | 299.5 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.12 g/cm3 |
MDL: | MFCD04037902 |
LogP: | 3.26560 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3063809-A1 | Compounds | 20170517 |
CN-110891951-A | Compound (I) | 20170517 |
EP-3628045-A1 | Compounds | 20170517 |
WO-2018211275-A1 | Compounds | 20170517 |
JP-2020520375-A | Compound | 20170517 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.136827821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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