Basic information
- CAS
75605-52-6- Standard SMILES
OC(CCl)CNCc1ccccc1- InChIKey
XNPBVLLNKJHQAO-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO
- Average molar mass
- 199.68 g/mol
- Monoisotopic mass
- 199.07639175
Overview
structure given in first source
Names & identifiers
- Preferred name
- Benzyl-(1-amino-3-chloro-2-propanol)
- IUPAC
- 1-(benzylamino)-3-chloropropan-2-ol
- English name
- benzyl-(1-amino-3-chloro-2-propanol)
- Molecular formula
- C10H14ClNO
- Molecular weight
- 199.68
Names & synonyms
75605-52-6BACPBenzyl-(1-amino-3-chloro-2-propanol)RefChem:1189131-(benzylamino)-3-chloropropan-2-ol257929-95-61-(benzylamino)-3-chloropropan-2-ol hydrochloride(2S)-1-(Benzylamino)-3-chloropropan-2-ol; (S)-(-)-N-Benzyl-N-(3-chloro-2-hydroxypropyl)amine1-benzylamino-3-chloropropane-2-olSCHEMBL2919287DTXSID10997033XNPBVLLNKJHQAO-UHFFFAOYSA-N
Show more names
2-Propanol, 1-chloro-3-[(phenylmethyl)amino]-
N-benzyl-3-amino-1-chloropropan-2olAKOS005216859N-benzyl-3-amino-1-chloropropan-2-olSB846331-(benzylamino)-3-chloro-propan-2-olSY465386WS-01269DB-336845
Database identifiers
- CAS
75605-52-6- PubChem CID
- 173441
- DTXSID
DTXSID10997033- Nikkaji
- J1.629.357A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 73 °C · 73 °C
- Boiling point
- 344.335 · 344.335±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.441 · 13.441±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers18 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
天津海美生物科技有限公司18902002991 · [email protected]
Jinan Zhonghan Chemical Technology Co., LTD.17667393216 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
成都爱斯特化学技术有限公司15928766785 15928766785 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海智乾生物科技有限公司[email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
泰兴市凯泰化学有限公司17321603069 · [email protected]
上海药领医药科技合伙企业（有限合伙）400-6181121 18616383988 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
Related reactions
9 records
Compound notes
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