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2-(Benzylamino)-2-methylpropan-1-ol

HCID 962368
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
10250-27-8
Standard SMILES
CC(C)(CO)NCc1ccccc1
InChIKey
JIDHEIXSIHNMCG-UHFFFAOYSA-N
Molecular formula
C11H17NO
Average molar mass
179.26 g/mol
Monoisotopic mass
179.13101416

Names & identifiers

Preferred name
2-(Benzylamino)-2-methylpropan-1-ol
IUPAC
2-(benzylamino)-2-methylpropan-1-ol
English name
2-Benzylamino-2-methyl-1-propanol
Molecular formula
C11H17NO
Molecular weight
179.26

Names & synonyms

2-(benzylamino)-2-methylpropan-1-ol10250-27-8DTXSID10359410RefChem:253211DTXCID50310464836-541-12-BENZYLAMINO-2-METHYL-1-PROPANOLMFCD045009502-(benzylamino)-2-methyl-1-propanol1-Propanol, 2-methyl-2-[(phenylmethyl)amino]-2-(benzylamino)-2-methyl-propan-1-ol2-Methyl-2-[(phenylmethyl)amino]-1-propanol
Show more names
Supply BMK powder2-benzylamino-2-methBMK and PMK glycidate2-(benzylamino)-2-methylpropan2-Benzylamino-2-Methyl-1-PropanN-benzyl-2-amino-2-methylpropanol
New bmk glycidate powder(Benzyl)(2-hydroxy-1,1-dimethylethyl)amine1-Propanol,2-methyl-2-[(phenylmethyl)amino]-BMK GLYCIDATE FACTORYSCHEMBL2500688SCHEMBL3631502JIDHEIXSIHNMCG-UHFFFAOYSA-N2-Benzylamino-2-methyl-1-propano

Database identifiers

CAS
10250-27-8
PubChem CID
962368
DTXSID
DTXSID10359410
EC Number
836-541-1
Nikkaji
J582.120G

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
139

Physicochemical properties

Melting point
68 · 68-70℃
Boiling point
300.8 · 300.8±17.0 °C(Predicted)
Density
1.006 · 1.006±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
solubility
Chloroform, DMSO, Methanol
form
Solid
pka
14.55 · 14.55±0.10(Predicted)
color
Off-White
InChI
InChI=1S/C11H17NO/c1-11(2,9-13)12-8-10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3
InChIKey
JIDHEIXSIHNMCG-UHFFFAOYSA-N
SMILES
C(O)C(C)(NCC1=CC=CC=C1)C
CAS DataBase Reference
10250 · 10250-27-8
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-Benzylamino-2-methyl-1-propanol, as a basic skeleton, is commonly used as an organic ligand in the structural modification and synthesis of oxazoline ligands. These ligands have wide applications in coordination chemistry and organometallic chemistry, playing a particularly important role in catalytic reactions. As a fundamental skeleton in organic synthesis, this molecule is frequently used in basic organic chemistry research to explore new reaction pathways, catalyst design, and synthetic methods for novel organic ligands.

Upstream & downstream products

Upstream raw materials

Oxazolidine, 4,4-dimethyl-2-phenyl-Alanine, 2-methyl-N-(phenylmethyl)-, methyl esterbenzamide, N-(2-hydroxy-1,1-dimethylethyl)-4,4-DIMETHYL-2-PHENYL-2-OXAZOLINEN-Benzoyl-2-methylalanine(S)-(+)-2-PhenylglycinolBenzaldehydeBenzyl chloride2-Amino-2-methyl-1-propanolBenzyl bromideBenzoyl chloride

Suppliers84 total

Wuhan Ruichi Technology Co., Ltd+undefined13545065237 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Anhui Yiao New Material Technology Co., Ltd+86-18033737140 +86-17354101231 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
河北缤享新材料科技有限公司+8618633865755 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Hebei Best Biological Technology Co., Ltd+86-18032431584 · [email protected]
Shanghai Dumi Biotechnology Co.,LTD+8617172178822 15373897440 · [email protected]
Hebei Shengyuan Jinlong Import and Export Co. LTD+86-17367750398 · [email protected]
武汉盈邦医药有限公司+86-13296627870; +86-13971566811 · [email protected]
Hebei Qige Biological Technology Co. Ltd+86 +8618733132031
深圳菲斯生物科技有限公司0755-83725681-603
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海华默西医药科技有限公司021-+86-021-38228826 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
河北岸达科技有限公司+86-19831998802 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Nanjing Deda New Material Technology Co., Ltd+8613223293093 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
Hebei Runbin Biotechnology Co. LTD13180553332 · [email protected]
邯郸统溢新材料科技有限公司17330042575 · [email protected]
河北缤享新材料科技有限公司+undefined-15703211689 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
Shijiazhuang Erche Biotechnology Co., Ltd8613343119830 13343119830 · [email protected]
艾吉析科技(上海)有限公司17721401538;17717235263 17721401538 · [email protected]
Anhui Ruihan Technology Co., Ltd+undefined17756083858 · [email protected]
上海石洋化工有限公司+86-021-56795779 +86-13651600618 · [email protected]
河北商海米发商贸有限公司15369120010 · [email protected]
河北方乾新材料科技有限公司86-180-3439-5858-5858 18034395858
Hebei Ningnan Trade Co. LTD+86-18034019111 · [email protected]
武汉奥利奇斯新材料科技有限公司+86-13545906766; 13545906766 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
Henan Bao Enluo International TradeCo.,LTD+86-17331933971 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
HEBEI Meijinnong Import And Export Trade Co.,LTD+86-17363028569 · [email protected]

Related reactions

12 records
New reaction record
HRID 73048 reaction equation
HRID 73048As productuspto-grants-2014_09
HRID 73049 reaction equation
HRID 73049As reactantuspto-grants-2014_09
HRID 85943 reaction equation
HRID 85943As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 584239 reaction equation
HRID 584239As productuspto-grants-2005_08
HRID 713134 reaction equation
HRID 713134As productuspto-grants-2015_11
HRID 713135 reaction equation
HRID 713135As reactantuspto-grants-2015_11
HRID 1390658 reaction equation
HRID 1390658As productuspto-grants-1979_02
HRID 1390659 reaction equation
HRID 1390659As reactantuspto-grants-1979_02
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Compound notes

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