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tert-Butyl (3-ethylpyridin-2-yl)carbamate

HCID 11117638
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
149489-03-2
Standard SMILES
CCc1cccnc1NC(=O)OC(C)(C)C
InChIKey
IQRKFAYMMZQJCK-UHFFFAOYSA-N
Molecular formula
C12H18N2O2
Average molar mass
222.28 g/mol
Monoisotopic mass
222.13682782

Names & identifiers

Preferred name
tert-Butyl (3-ethylpyridin-2-yl)carbamate
IUPAC
tert-butyl N-(3-ethyl-2-pyridinyl)carbamate
English name
CARBAMIC ACID, (3-ETHYL-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
Molecular formula
C12H18N2O2
Molecular weight
222.28

Names & synonyms

149489-03-2tert-Butyl (3-ethylpyridin-2-yl)carbamateDTXSID30455842RefChem:382993DTXCID20406661Tert-butyl N-(3-ethylpyridin-2-yl)carbamate(3-Ethyl-pyridin-2-yl)-carbamic acid tert-butyl esterTert-butyl 3-ethylpyridin-2-ylcarbamateMFCD119763632-t-Butoxycarbonylamino-3-ethylpyridineCarbamic acid, (3-ethyl-2-pyridinyl)-, 1,1-dimethylethyl esterCarbamic acid, N-(3-ethyl-2-pyridinyl)-, 1,1-dimethylethyl ester
Show more names
EOS-61815ert-butylN-(3-ethylpyridin-2-yl)carbamate
tert-Butyl(3-ethylpyridin-2-yl)carbamateCarbamic acid,(3-ethyl-2-pyridinyl)-,1,1-dimethylethyl ester (9Cl)SCHEMBL69347N-Boc-3-Ethylpyridin-2-Amine2-(Boc-amino)-3-ethylpyridineSCHEMBL29919808IQRKFAYMMZQJCK-UHFFFAOYSA-NN-(3-ETHYL-2-PYRIDINYL)CARBAMIC ACID TERT-BUTYL ESTER

Database identifiers

CAS
149489-03-2
PubChem CID
11117638
DTXSID
DTXSID30455842

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
51.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
236

Physicochemical properties

Density
1.087 · 1.087
storage temp.
2 · 2-8°C
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

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-H319
Precautionary statements
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Chemistry & industry

Upstream & downstream products

Downstream products

5-broMo-3-ethylpyridin-2-aMine

Suppliers33 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]

Related reactions

12 records
New reaction record
HRID 175146 reaction equation
HRID 175146As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 233694 reaction equation
HRID 233694As productuspto-grants-1997_01
HRID 538432 reaction equation
HRID 538432As productuspto-grants-2014_10
HRID 538433 reaction equation
HRID 538433As reactantuspto-grants-2014_10
HRID 861590 reaction equation
HRID 861590As reactantuspto-grants-1998_02
HRID 921538 reaction equation
HRID 921538As productuspto-grants-2016_03
HRID 921539 reaction equation
HRID 921539As reactantuspto-grants-2016_03
HRID 934158 reaction equation
HRID 934158As productValidation data from https://doi.org/10.1039/C8SC04228D
Page 1 of 2

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
德州博腾精细化工有限公司[email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海篆乾生物科技有限公司15721176654;15710104046 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
苏州拜傲克生物科技有限公司18626188356
武汉万鉴生物科技有限公司13277087647 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]