CAS 21075-83-2 1-Boc-1-methylhydrazine (HCID 3748280)

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Basic information

CAS: 21075-83-2
Standard SMILES: CN(N)C(=O)OC(C)(C)C
InChIKey: IHMQNZFRFVYNDS-UHFFFAOYSA-N
Molecular formula: C6H14N2O2
Average molar mass: 146.19 g/mol
Monoisotopic mass: 146.10552769

Names & identifiers

Preferred name: 1-Boc-1-methylhydrazine
IUPAC: tert-butyl N-amino-N-methylcarbamate
English name: tert-Butyl 2-methylcarbazate
Molecular formula: C6H14N2O2
Molecular weight: 146.19

Names & synonyms

1-Boc-1-methylhydrazine21075-83-2DTXSID40395881RefChem:228194DTXCID70346740629-342-4tert-butyl N-amino-N-methylcarbamatetert-butyl 1-methylhydrazinecarboxylateHydrazinecarboxylic acid, 1-methyl-, 1,1-dimethylethyl esterMFCD05669700N-methyl(tert-butoxy)carbohydrazidetert-Butyl 2-methylcarbazate

Show more names

Tert-butyl N-amino-N-methyl-carbamate1-Boc-1-methyLBoc-1-MethylhydrazineN-Boc-N-methylhydrazine1-Boc-1-Methylhydrazine 97%tert-Butyl 2-Methylcarbazate >1-Carbo-tert-butoxy-1-methylhydrazine2-Methylcarbazic Acid tert-Butyl Ester

N-(tert-Butoxycarbonyl)-N-methylhydrazinet-butyl 2-methylcarbazateN-methylhydrazinecarboxylic acid tert-butyl ester1-tert-Butoxycarbonyl-1-methylhydrazineN'-Boc-N'-Methyl Hydrazinetert-Butyl 1-methylhydrazine-1-carboxylate1,1-Dimethylethyl 1-methylhydrazinecarboxylateCS-W007496

Database identifiers

CAS: 21075-83-2
PubChem CID: 3748280
DTXSID: DTXSID40395881
UNII: 779KF339BC
EC Number: 629-342-4
Nikkaji: J1.225.606J

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 128

Physicochemical properties

Boiling point: 186 ℃ · 186℃
Density: 0.985 g/mL · 0.985 g/mL at 25 °C
refractive index: 20 · n20/D 1.436
Flash point: 71 °C · 71 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
pka: 3.28 · 3.28±0.10(Predicted)
color: Colorless to Almost colorless
InChI: InChI=1S/C6H14N2O2/c1-6(2,3)10-5(9)8(4)7/h7H2,1-4H3
InChIKey: IHMQNZFRFVYNDS-UHFFFAOYSA-N
SMILES: N(C(OC(C)(C)C)=O)(C)N
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H302

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29242990
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H227-H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P210-P280-P403+P235-P501

Chemistry & industry

Applications

Usestert-Butyl 1-Methylhydrazinecarboxylate is a reactant in the synthesis of the hydrazide of (2S,3S)-trans-epoxysuccinyl-L-leucylamido-3-methylbutane, the lead structure of the irreversible cathepsin C inhibitor.