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14-(((Tert-butoxy)carbonyl)amino)-3,6,9,12-tetraoxatetradecanoic acid

HCID 11660330
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
876345-13-0
Standard SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCC(=O)O
InChIKey
SHMYENBXRNPSOG-UHFFFAOYSA-N
Molecular formula
C15H29NO8
Average molar mass
351.39 g/mol
Monoisotopic mass
351.18931688

Names & identifiers

Preferred name
14-(((Tert-butoxy)carbonyl)amino)-3,6,9,12-tetraoxatetradecanoic acid
IUPAC
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
English name
Boc-NH-PEG4-CH2COOH
Molecular formula
C15H29NO8
Molecular weight
351.39

Names & synonyms

876345-13-014-{[(tert-butoxy)carbonyl]amino}-3,6,9,12-tetraoxatetradecanoic acid14-(((Tert-butoxy)carbonyl)amino)-3,6,9,12-tetraoxatetradecanoic acidRefChem:437446988-236-9Boc-NH-PEG4-ch2cooh2,2-Dimethyl-4-oxo-3,8,11,14,17-pentaoxa-5-azanonadecan-19-oic acidBoc-NH-PEG(3)-COOHBocNH-PEG4-CH2COOHt-Boc-N-amido-PEG4-CH2CO2HMFCD305285685,8,11,14-Tetraoxa-2-azahexadecanedioic acid, 1-(1,1-dimethylethyl) ester
Show more names
BocNH-PEG4-AANHBoc-PEG4-CH2COOHBoc-NH-PEG4-CH2CO0HBoc-NH-(PEG)4-CH2COOHBoc-NH-PEG(3)-COOH(16atoMs)t-boc-N-amido-PEG4-acetic acid14-(Boc-amino)-3,6,9,12-tetraoxatetradecan-1-oic Acid
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic AcidBocNH-PEG4-acidorb1217547orb1308534SCHEMBL13699512C15H29NO8BKB34513ZB0965

Database identifiers

CAS
876345-13-0
PubChem CID
11660330
EC Number
988-236-9

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
113 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
16
Heavy atoms
24
Formal charge
0
Complexity
343

Physicochemical properties

Boiling point
493.6 · 493.6±40.0 °C(Predicted)
Density
1.138 · 1.138±0.06 g/cm3(Predicted)
refractive index
1.4641 · n/D 1.4641
storage temp.
-20 °C · -20°C
pka
3.39 · 3.39±0.10(Predicted)
form
Viscous Liquid
color
Colorless to light yellow
InChI
InChI=1S/C15H29NO8/c1-15(2,3)24-14(19)16-4-5-20-6-7-21-8-9-22-10-11-23-12-13(17)18/h4-12H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
SHMYENBXRNPSOG-UHFFFAOYSA-N
SMILES
C(OC(C)(C)C)(=O)NCCOCCOCCOCCOCC(O)=O
UNSPSC Code
12352106 · 12352106
NACRES
22 · NA.22
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
WGK Germany
3 · WGK 3
Storage Class
10 · 10 - Combustible liquids

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

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 1 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

wgk
WGK 3
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
10 - Combustible liquids
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Chemistry & industry

Applications · 2 items

Descriptiont-Boc-N-amido-PEG4-CH2CO2H is a PEG linker containing a terminal carboxylic acid and Boc-protected amino group. The hydrophilic PEG spacer increases solubility in aqueous media. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. The Boc group can be deprotected under mild acidic conditions to form the free amine.

UsesThis heterobifunctional, PEGylated crosslinker features a carboxylic acid at one end and Boc-protected amino group at the other, which can be deprotected with mildly acidic conditions. The hydrophillic PEG linker facilitates solubility in biological applications. BocNH-PEG4-acid can be used for bioconjugation or as a building block for synthesis of small molecules, conjugates of small molecules and/or biomolecules, or other tool compounds for chemical biology and medicinal chemistry that require ligation. Examples of applications include its synthetic incorporation into antibody-drug conjugates or proteolysis-targeting chimeras (PROTAC molecules) for targeted protein degradation

Suppliers100 total

吉林省创力生物科技有限公司19396231124 19396231124 · [email protected]
浙江博美生物技术有限公司0573-82623377 18967387295 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
成都翰唯生物科技有限公司17360178904 18217049878 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
广州鸿远生物科技有限公司15817493340 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
扬州济德康瑞生物科技有限公司15029750239 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
成都普康生物科技有限公司18217049878 · [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]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
长沙晨辰医药科技有限公司189-75832125 13397510867 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
济南君合药业有限公司13053355392 · [email protected]
苏州新瑞生物科技有限公司13401437572 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
武汉翱联生物科技有限公司15841022315 15841022315 · [email protected]
南通裕健医药科技有限公司13962794339 · [email protected]
浙江瑞奥生物科技有限公司82087565 15757883359 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
金瓯生物医药(南京)有限公司13000000000 · [email protected]
武汉翱飞科技有限公司15841022315 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
厦门赛诺邦格生物科技股份有限公司400-9189898 17359873007 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海研纷生化科技有限公司13611955358 15002190549 · [email protected]
南京政琦科技有限公司19853943728 19853943728 · [email protected]
上海之坤生物科技有限公司15821335126 15821335126 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南京佰瑞利康生物科技有限公司18168036974 · [email protected]
迪派格(渭南)生物科技有限公司15114901355 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
武汉博仁凯润药业有限公司027-65563561 18717150066 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
苏州名德生物科技有限公司13915541704 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海洛琅生物科技有限公司19210627729 · [email protected]

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