N-aminomethylcarbamic acid tert-butyl ester
Basic information
- CAS
73017-97-7- Standard SMILES
CC(C)(C)OC(=O)NCN- InChIKey
RXTKSYUIDWDWTH-UHFFFAOYSA-N- Molecular formula
- C6H14N2O2
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.10552769
Overview
reagent for modifying aspartic acid; structure
Names & identifiers
- Preferred name
- N-aminomethylcarbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(aminomethyl)carbamate
- English name
- tert-butyl (aminomethyl)carbamate
- Molecular formula
- C6H14N2O2
- Molecular weight
- 146.19
Names & synonyms
73017-97-7N-Aminomethylcarbamic acid tert-butyl esterDTXSID40223296Carbamic acid, (aminomethyl)-, 1,1-dimethylethyl esterRefChem:162872DTXCID40145787tert-butyl (aminomethyl)carbamatetert-butyl N-(aminomethyl)carbamateN-Boc-methanediamineSCHEMBL854016tert-butyl(aminomethyl)carbamateMFCD19206972
Show more names
N-methylamineCarbamic acid, N-(aminomethyl)-, 1,1-dimethylethyl ester
AKOS006361905SY316537
Database identifiers
- CAS
73017-97-7- PubChem CID
- 192025
- DTXSID
DTXSID40223296
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 224.7 · 224.7±23.0 °C(Predicted)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- pka
- 8.03 · 8.03±0.46(Predicted)
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Related reactions
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Compound notes
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