tert-Butyl 3-amino-3-methylpyrrolidine-1-carboxylate

HCID 57415917

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Basic information

CAS: 1158758-59-8
Standard SMILES: CC1(N)CCN(C(=O)OC(C)(C)C)C1
InChIKey: KYRWEDDXBNZACB-UHFFFAOYSA-N
Molecular formula: C10H20N2O2
Average molar mass: 200.28 g/mol
Monoisotopic mass: 200.15247789

Names & identifiers

Preferred name: tert-Butyl 3-amino-3-methylpyrrolidine-1-carboxylate
IUPAC: tert-butyl 3-amino-3-methylpyrrolidine-1-carboxylate
English name: 1-Pyrrolidinecarboxylic acid, 3-amino-3-methyl-, 1,1-dimethylethyl ester
Molecular formula: C10H20N2O2
Molecular weight: 200.28

Names & synonyms

1158758-59-8tert-butyl 3-amino-3-methylpyrrolidine-1-carboxylateDTXSID90725598RefChem:383357DTXCID80676343837-999-53-AMINO-1-BOC-3-METHYLPYRROLIDINETERT-BUTYL 3-AMINO-3-METHYL-PYRROLIDINE-1-CARBOXYLATEMFCD124085441-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-3-METHYL-, 1,1-DIMETHYLETHYL ESTER115875-85-9SCHEMBL358661

Show more names

1-Boc-3-amino-3-methyl-pyrrolidine1,1-Dimethylethyl 3-amino-3-methyl-1-pyrrolidinecarboxylate

KYRWEDDXBNZACB-UHFFFAOYSA-N3-Amino-1-Boc-3-methylpyr...NPC72123SXC78907AKOS015949547PB19280AS-33668DA-47714

Database identifiers

CAS: 1158758-59-8
PubChem CID: 57415917
DTXSID: DTXSID90725598
EC Number: 837-999-5

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 235

Physicochemical properties

Boiling point: 263.2 · 263.2±33.0 °C(Predicted)
Density: 1.037 · 1.037±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.55 · 9.55±0.20(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.