2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid

HCID 294907

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Basic information

CAS: 3262-72-4
Standard SMILES: CC(C)(C)OC(=O)NC(CO)C(=O)O
InChIKey: FHOAKXBXYSJBGX-UHFFFAOYSA-N
Molecular formula: C8H15NO5
Average molar mass: 205.21 g/mol

Names & identifiers

Preferred name: 2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid
IUPAC: 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
English name: Serine, N-[(1,1-dimethylethoxy)carbonyl]- (9CI)
Molecular formula: C8H15NO5
Molecular weight: 205.21

Names & synonyms

3850-40-62-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoic acidRefChem:450136827-118-2N-BOC-DL-SERINEBoc-DL-serine(tert-butoxycarbonyl)serineMFCD001908303-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoic acidBoc-DL-Ser-OH

Show more names

Boc-DL-SerN-BOC-Serine(Tert-Butoxy)Carbonyl DL-Ser-OHN-[(1,1-Dimethylethoxy)carbonyl]serineSerine,N-[(1,1-diMethylethoxy)carbonyl]-

Serine, N-[(1,1-dimethylethoxy)carbonyl]- (9CI)2-[[(tert-Butoxy)carbonyl]amino]-3-hydroxypropanoic acidNSC-164056N-boc-d1-serineNSC164056FFV6Q46BLRN-alpha-t-BOC-D-SERINEN-alpha-t-BOC-L-SERINE

Database identifiers

CAS: 3262-72-4、3850-40-6
PubChem CID: 294907
UNII: FFV6Q46BLR
EC Number: 827-118-2
Nikkaji: J2.090.782G

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 95.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 220

Physicochemical properties

Boiling point: 385.1 · 385.1±37.0 °C(Predicted)
Density: 1.24 · 1.240±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.62 · 3.62±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362