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2,5-dioxopyrrolidin-1-yl 3-(3-methyl-3H-diazirin-3-yl)propanoate

HCID 89937136
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1239017-80-1
Standard SMILES
CC1(CCC(=O)ON2C(=O)CCC2=O)N=N1
InChIKey
SYYLQNPWAPHRFV-UHFFFAOYSA-N
Molecular formula
C9H11N3O4
Average molar mass
225.2 g/mol
Monoisotopic mass
225.07495584

Names & identifiers

Preferred name
2,5-dioxopyrrolidin-1-yl 3-(3-methyl-3H-diazirin-3-yl)propanoate
IUPAC
(2,5-dioxopyrrolidin-1-yl) 3-(3-methyldiazirin-3-yl)propanoate
English name
3H-Diazirine-3-propanoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester
Molecular formula
C9H11N3O4
Molecular weight
225.2

Names & synonyms

1239017-80-12,5-dioxopyrrolidin-1-yl 3-(3-methyl-3H-diazirin-3-yl)propanoateNHS-DiazirineMFCD288996723-Methyl-3H-diazirine-3-propanoic Acid 2,5-Dioxo-1-pyrrolidinyl EsterSDA (NHS-Diazirine)Me-Diazirine-NHS ester(2,5-dioxopyrrolidin-1-yl) 3-(3-methyldiazirin-3-yl)propanoate3-Methyl-3H-diazirine-3-propanoicAcid2,5-Dioxo-1-pyrrolidinylEster3H-Diazirine-3-propanoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl esterSYYLQNPWAPHRFV-UHFFFAOYSA-NSCHEMBL15433001
Show more names
DiAz-NHSEMe-Diazirine-NHSN-Succinimidyl 3-(3-Methyl-3H-diazirin-3-yl)propanoate3-(3-Methyl-3H-diazirin-3-yl)propanoic Acid N-Succinimidyl Ester1-[[3-(3-Methyl-3H-diazirin-3-yl)propanoyl]oxy]-2,5-pyrrolidinedio
Succinimidyl 4,4'-azipentanoateTQP0867PZB01780AT26510EBC-6705080BP-45338BS-52747SY036567

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
88.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
368

Physicochemical properties

Boiling point
325.7 · 325.7±48.0 °C(Predicted)
Density
1.56 · 1.56±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Storage temp. -20°C
Appearance
White to off-white Solid
Symbol(GHS)
6 · GHS06,GHS07
Signal word
Danger
Hazard statements
301 · H301-H315-H319-H335
Precautionary statements
261 · P261-P301+P310-P305+P351+P338

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 · 4 items

Warning

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, 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 CategoriesFlam. Sol. 2 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS06,GHS07
Hazard statements
H301-H315-H319-H335
Precautionary statements
P261-P301+P310-P305+P351+P338

Chemistry & industry

Applications

Uses3-Methyl-3H-diazirine-3-propanoic Acid 2,5-Dioxo-1-pyrrolidinyl Ester is a chemical reagent used in the modification of arginine in native peptides for use in chemical probe development.

Suppliers39 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
浙江博美生物技术有限公司0573-82623377 18967387295 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
泰州葛林美克医药科技有限公司15366892466 · [email protected]
天津艾诺医药科技有限公司13269213627 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
西安凯新生物科技有限公司029-68881181 13619217766 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
1239017-80-1
PubChem CID
89937136
EC Number
113-542-9
Nikkaji
J3.401.127C
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
武汉翱联生物科技有限公司15841022315 15841022315 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Xian confluore Biological Technology Co., Ltd.+86-15680926068 · [email protected]
旷博科技(天津)有限公司0-16600677255-0 18602647921 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
维百奥(北京)生物科技有限公司13621190864 13691409741 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
天津凯慕化学科技有限公司13116033142 13116033142 · [email protected]
西安康福诺生物科技有限公司+86-156-80926068 +86-15680926068 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研纷生化科技有限公司17721070236 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
上海盛袖生物科技有限公司13761144602 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]