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Methyl (2S)-5-oxopiperazine-2-carboxylate

HCID 44520133
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1191885-41-2
Standard SMILES
COC(=O)[C@@H]1CNC(=O)CN1
InChIKey
KLAVLUWNPFSXTG-BYPYZUCNSA-N
Molecular formula
C6H10N2O3
Average molar mass
158.16 g/mol
Monoisotopic mass
158.06914219

Names & identifiers

Preferred name
Methyl (2S)-5-oxopiperazine-2-carboxylate
IUPAC
methyl (2S)-5-oxopiperazine-2-carboxylate
English name
(S)-Methyl 5-oxopiperazine-2-carboxylate
Molecular formula
C6H10N2O3
Molecular weight
158.16

Names & synonyms

1191885-41-2methyl (2S)-5-oxopiperazine-2-carboxylateDTXSID20659256RefChem:353004DTXCID80610005(S)-Methyl 5-oxopiperazine-2-carboxylateMethyl (S)-5-oxopiperazine-2-carboxylateMFCD131867612-Piperazinecarboxylic acid, 5-oxo-, methyl ester, (2S)-(S)-Methyl5-oxopiperazine-2-carboxylateMETHYL (S)-5-OXO-2-PIPERAZINECARBOXYLATEYQF3153
Show more names
AKOS006332956DS-4643SY119859DB-353681CS-0109587C71631F238641(2S)-5-OXO-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER

Database identifiers

CAS
1191885-41-2
PubChem CID
44520133
DTXSID
DTXSID20659256
Nikkaji
J2.785.574A

Properties

Computed structural properties

XLogP
-1.1
Topological polar surface area
67.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
181

Physicochemical properties

storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H317-H319-H335
Precautionary statements
261 · P261-P280-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.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H317-H319-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Suppliers14 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
上海之坤生物科技有限公司15821335126 15821335126 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
佰美济华(河南)医药科技有限公司0371-88900765 18037465274 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]

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Compound notes

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