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2-Amino-cyclopent-1-enecarboxylic acid ethyl ester

HCID 243333
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
7149-18-0
Standard SMILES
CCOC(=O)C1=C(N)CCC1
InChIKey
FMEHILPGLKGSCA-UHFFFAOYSA-N
Molecular formula
C8H13NO2
Average molar mass
155.19 g/mol
Monoisotopic mass
155.09462866

Names & identifiers

Preferred name
2-Amino-cyclopent-1-enecarboxylic acid ethyl ester
IUPAC
ethyl 2-aminocyclopentene-1-carboxylate
English name
Ethyl 2-amino-1-cyclopentene-1-carboxylate
Molecular formula
C8H13NO2
Molecular weight
155.19

Names & synonyms

2-Amino-cyclopent-1-enecarboxylic acid ethyl esterRefChem:464874696-381-17149-18-0Ethyl 2-amino-1-cyclopentene-1-carboxylateethyl 2-aminocyclopent-1-enecarboxylateethyl 2-aminocyclopent-1-ene-1-carboxylateethyl 2-aminocyclopentene-1-carboxylateMFCD00216929NSC52925Oprea1_3953781-Cyclopentene-1-carboxylic acid, 2-amino-, ethyl ester
Show more names
2-amino-1-cyclopentenecarboxylateETHYL 2-AMINO-1-CYCLOPENTENE-1-CARBOXYLATE99%Ethyl 2-amino-1-cyclopentene-1-carboxylate 7149-18-0Ethyl 2-aMino-1-cyclopentene-1-carboxylate, 99% 500MG
SCHEMBL3456275DTXSID10287860NSC-52925SBB017047AKOS015994949AB04907AT23521Ethyl 2-Amino-1-cyclopentenecarboxylate

Database identifiers

CAS
7149-18-0
PubChem CID
243333
DTXSID
DTXSID10287860

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
11
Formal charge
0
Complexity
196

Physicochemical properties

Melting point
57 · 57-60 °C
Boiling point
279 °C · 279°C (rough estimate)
Density
1.1174 · 1.1174 (rough estimate)
refractive index
1.489 · 1.4890 (estimate)
storage temp.
2 · 2-8°C, protect from light
pka
6.95 · 6.95±0.20(Predicted)
form
Crystalline Powder
color
Light yellow
Water Solubility
soluble
Symbol(GHS)
6 · GHS06
Signal word
Danger
Hazard statements
301 · H301+H311-H315-H319
Precautionary statements
501 · P501-P270-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P405
Hazard Codes
Xn
Risk Statements
36 · 36/37/38-22

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

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.

Safety data

hs_code
29224985
risk_code
36/37/38-22
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
Xn
safety_code
36/37/39-26
Hazard statements
H301+H311-H315-H319
Precautionary statements
P501-P270-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P405

Chemistry & industry

Upstream & downstream products

Downstream products

ethyl 2,4-dihydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate

Suppliers35 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]

Related reactions

6 records
New reaction record
HRID 173643 reaction equation
HRID 173643As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 265706 reaction equation
HRID 265706As productuspto-grants-1997_07
HRID 1419015 reaction equation
HRID 1419015As productuspto-grants-1999_03
HRID 1707386 reaction equation
HRID 1707386As productuspto-grants-1994_10
HRID 1757090 reaction equation
HRID 1757090As productuspto-grants-1995_08
HRID 1779690 reaction equation
HRID 1779690As productuspto-grants-1997_05

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
EC Number
696-381-1
Nikkaji
J1.494.589J
Safety Statements
36 · 36/37/39-26
HS Code
29224985 · 29224985
苏州施亚生物科技有限公司
86(512)5235 8471 17715136450 · [email protected]
上海旭晗化学科技有限公司15921303235 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
上海途志化工有限公司19542790274 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
聿锦(天津)科技有限公司13370351217 kungfu1217@1 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京椒宁医药科技有限公司025-52388076 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]