CAS 146000-39-7 2-{[(Tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoic acid (HCID 2734752)

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Basic information

CAS: 146000-39-7
Standard SMILES: CN(C(=O)OC(C)(C)C)C(C)(C)C(=O)O
InChIKey: KPDLITGXUYMJEC-UHFFFAOYSA-N
Molecular formula: C10H19NO4
Average molar mass: 217.26 g/mol
Monoisotopic mass: 217.13140809

Names & identifiers

Preferred name: 2-{[(Tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoic acid
IUPAC: 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
English name: Boc-n,2-dimethylalanine
Molecular formula: C10H19NO4
Molecular weight: 217.26

Names & synonyms

2-{[(tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoic acid2-(((tert-butoxy)carbonyl)(methyl)amino)-2-methylpropanoic acidRefChem:447002866-362-4Boc-N-Me-Aib-OH146000-39-7Boc-N,2-dimethylalanineBoc-N-methyl-aminoisobutyric acidMFCD018629122-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic AcidN-Boc-N,2-dimethylalanineN-Boc-N,2-dimethyl-DL-alanine

Show more names

BOC-N-METHYL-AIBN-BOC-N,2-Dimethylalanine, 98+%(Tert-Butoxy)Carbonyl N-Me-Aib-OHBOC-N,2-DIMETHYLALANINE USP/EP/BPn-boc-α-(methylamino)isobutyric acid

Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N,2-dimethyl-DTXSID103704832-[Boc(methyl)amino]-2-methylpropanoic AcidCS-0154820N-(tert-butoxycarbonyl)-N,2-dimethylalanineEN300-65664SCHEMBL186289ZB1745

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 265

Physicochemical properties

Melting point: 154 · 154-158 °C
Boiling point: 306.4 · 306.4±21.0 °C(Predicted)
Density: 1.091 · 1.091±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
form: Crystalline Powder
pka: 4.18 · 4.18±0.10(Predicted)
color: White
BRN: 7371082 · 7371082
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29224985 · 29224985

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29224985
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P