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2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(1H-imidazol-5-yl)propanoate

HCID 6992580
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
50654-94-9
Standard SMILES
CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]
InChIKey
AYMLQYFMYHISQO-MRVPVSSYSA-M
Molecular formula
C11H16N3O4-
Average molar mass
254.266 g/mol
Monoisotopic mass
254.11462957

Names & identifiers

Preferred name
2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(1H-imidazol-5-yl)propanoate
IUPAC
(2R)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(1H-imidazol-5-yl)propanoate
English name
BOC-D-HIS-OH
Molecular formula
C11H17N3O4
Molecular weight
255.27

Names & synonyms

Boc-D-HisBOC-D-HISTIDINEBOC-D-HIS-OHNα-Boc-D-HistidineN-α-Boc-D-histidinen(à)-boc-d-histidineN(a)-Boc-D-histidineBoc-D- histidine acidBoc-D-His-OHBOC-D-HIS-OH USP/EP/BP

Database identifiers

CAS
50654-94-9
PubChem CID
6992580
DTXSID
DTXSID90964889

Properties

Physicochemical properties

Melting point
193 · 193-197 °C
Boiling point
398.5 °C · 398.5°C (rough estimate)
Density
1.275 · 1.275
refractive index
1.57 · 1.5700 (estimate)
storage temp.
2 · Sealed in dry,2-8°C
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid
pka
3.37 · 3.37±0.10(Predicted)
color
White to Off-White
BRN
4196575 · 4196575
Major Application
peptide synthesis
InChI
1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)/t8-/m1/s1
InChIKey
AYMLQYFMYHISQO-MRVPVSSYSA-N
SMILES
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]cn1)C(O)=O
CAS DataBase Reference
50654 · 50654-94-9
UNSPSC Code
12352209 · 12352209
NACRES
22 · NA.22
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE
95 · Eyeshields, Gloves, type N95 (US)
Safety Statements
24 · 24/25
WGK Germany
3 · 3
HazardClass
IRRITANT
HS Code
29332900 · 29332900
Storage Class
11 · 11 - Combustible Solids

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

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29332900
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
hazard_class
IRRITANT
Storage Class
11 - Combustible Solids
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesNα-Boc-D-histidine is an N-Boc-protected form of D-Histidine (H456015). D-Histidine is the unnatural, biologically inactive isomer of L-Histidine (H456010). D-histidine is known to inhibit cell division, and is also used by certain types of bacteria (such as Escherichia coli) as a source of L-Histidine.

Suppliers95 total

北京华美互利生物化工010-56205725 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
山东隆玉达医药科技有限公司0534-2152677 17862520650 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [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]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
上海相辉医药科技有限公司13761987713 · [email protected]
常州希辰曦生物科技有限公司13961235446 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
百盛HK进出口有限公司+86-18068513926
吉尔生化(玉门)有限公司18221406464 18221406464;13236395639 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
天津卡普希科技有限公司022-66211079 13212288319 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
四川安派博生物科技有限公司028-65294243 18682730901 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]

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