2-(((Tert-butoxy)carbonyl)amino)butanoic acid

HCID 333522

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Basic information

CAS: 34306-42-8
Standard SMILES: CCC(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: PNFVIPIQXAIUAY-UHFFFAOYSA-N
Molecular formula: C9H17NO4
Average molar mass: 203.24 g/mol
Monoisotopic mass: 203.11575802

Names & identifiers

Preferred name: 2-(((Tert-butoxy)carbonyl)amino)butanoic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
English name: BOC-DL-2-AMINOBUTYRIC ACID
Molecular formula: C9H17NO4
Molecular weight: 203.24

Names & synonyms

2-{[(tert-butoxy)carbonyl]amino}butanoic acid2-(((Tert-butoxy)carbonyl)amino)butanoic acidRefChem:447182962-244-277284-64-1Boc-DL-Abu-OH2-[(tert-Butoxycarbonyl)amino]butanoic acidDL-Boc-Aminobutyric acidMFCD002703582-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid2-(Boc-amino)butyric AcidButanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-

Show more names

Boc-DL-2-AbuBOC-DL-2-AMINOBUTYRIC ACID2-(tert-butoxycarbonyl)butanoic acid2-Aminobutanoic acid, N-BOC protected(2R)-2-[(tert-butoxycarbonyl)amino]butanoate

2-((tert-Butoxycarbonyl)amino)butanoic acidNSC335382(R)-2-(tert-butoxycarbonylamino)butanoic acid2-(tert-butoxycarbonylamino)butanoic acidboc-2-aminobutyric acidboc-l-a-aminobutyric acidBoc-D-a-aminobutyric acidn-boc-2-aminobutyric acid

Database identifiers

CAS: 34306-42-8、77284-64-1
PubChem CID: 333522
DTXSID: DTXSID40318757
EC Number: 962-244-2

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 219

Physicochemical properties

Melting point: 60 · 60-62 °C
Boiling point: 334.5 · 334.5±25.0 °C(Predicted)
Density: 1.101 · 1.101±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4 · 4.00±0.10(Predicted)
Appearance: White to off-white Solid
Precautionary statements: 271 · P271-P261-P280
HazardClass: IRRITANT
HS Code: 2922498590 · 2922498590

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.