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Basic information
- CAS
142847-17-4- Standard SMILES
CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)O- InChIKey
FYYSQDHBALBGHX-UHFFFAOYSA-N- Molecular formula
- C9H16N2O5
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.10592161
Names & identifiers
- Preferred name
- 2-{[(Tert-butoxy)carbonyl]amino}-3-carbamoylpropanoic acid
- IUPAC
- 4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
- English name
- 4-AMINO-2-[(TERT-BUTOXYCARBONYL)AMINO]-4-OXOBUTANOIC ACID
- Molecular formula
- C9H16N2O5
- Molecular weight
- 232.23
Names & synonyms
2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoic acid2-(((tert-butoxy)carbonyl)amino)-3-carbamoylpropanoic acidRefChem:447127855-358-8142847-17-44-amino-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acidBoc-DL-asparagineMFCD00068248(tert-Butoxycarbonyl)asparagineN2-(tert-Butoxycarbonyl)asparagine4-Amino-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acidBoc-L-Asn-OH
Show more names
N-Boc-DL-AsparagineAsparagine, N2-[(1,1-dimethylethoxy)carbonyl]-2-[(tert-butoxycarbonyl)amino]-3-carbamoylpropanoic acid
4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acidN2-[(1,1-Dimethylethoxy)carbonyl]asparagineTERT-BUTOXYCARBONYL ASPARAGINE4-Amino-2-(Boc-amino)-4-oxobutanoic AcidC9H16N2O5N-alpha-t-BOC-L-ASPARAGINEDL-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-Na-Boc-L-asparagine
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- CAS DataBase Reference
- 142847 · 142847-17-4
- 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
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- HS Code
- 2915601990 · 2915601990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
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 (100%)
Safety data
- hs_code
- 2915601990
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers20 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
常州希辰曦生物科技有限公司13961235446 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
成都市佳和彬科技有限公司028-61186694 15608078506 · [email protected]
苏州奥格尼克生物科技有限公司18061997750 · [email protected]
Related reactions
2 records
Compound notes
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